BENZENEACETIC ACID, 2-METHOXY-5-(((2-METHYL-3-FURANYL)THIOXOMETHYL)AMINO)-, 1-METHYLETHYL ESTER

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H21NO4S
Molecular Weight	347.429
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZENEACETIC ACID, 2-METHOXY-5-(((2-METHYL-3-FURANYL)THIOXOMETHYL)AMINO)-, 1-METHYLETHYL ESTER

Structure Search

SMILES

COC1=C(CC(=O)OC(C)C)C=C(NC(=S)C2=C(C)OC=C2)C=C1

InChI

InChIKey=SGKMPSZPIABAFD-UHFFFAOYSA-N

InChI=1S/C18H21NO4S/c1-11(2)23-17(20)10-13-9-14(5-6-16(13)21-4)19-18(24)15-7-8-22-12(15)3/h5-9,11H,10H2,1-4H3,(H,19,24)

HIDE SMILES / InChI

Molecular Formula	C18H21NO4S
Molecular Weight	347.429
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:49:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:49:20 GMT 2025`
Record UNII	6E5J4XNU8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENEACETIC ACID, 2-METHOXY-5-(((2-METHYL-3-FURANYL)THIOXOMETHYL)AMINO)-, 1-METHYLETHYL ESTER

Common Name

English

NSC-650058

Preferred Name

English

Code System Code Type Description

NSC

650058

Created by admin on Tue Apr 01 19:49:20 GMT 2025 , Edited by admin on Tue Apr 01 19:49:20 GMT 2025

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FDA UNII

6E5J4XNU8Y

Created by admin on Tue Apr 01 19:49:20 GMT 2025 , Edited by admin on Tue Apr 01 19:49:20 GMT 2025

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EPA CompTox

DTXSID20170557

Created by admin on Tue Apr 01 19:49:20 GMT 2025 , Edited by admin on Tue Apr 01 19:49:20 GMT 2025

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PUBCHEM

3000952

Created by admin on Tue Apr 01 19:49:20 GMT 2025 , Edited by admin on Tue Apr 01 19:49:20 GMT 2025

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CAS

178869-97-1

Created by admin on Tue Apr 01 19:49:20 GMT 2025 , Edited by admin on Tue Apr 01 19:49:20 GMT 2025

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