S-PHENYL INDOLE-3-THIOLOBUTYRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H17NOS
Molecular Weight	295.399
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-PHENYL INDOLE-3-THIOLOBUTYRATE

Structure Search

SMILES

O=C(CCCC1=CNC2=CC=CC=C12)SC3=CC=CC=C3

InChI

InChIKey=WNEPVMFIDAKEMV-UHFFFAOYSA-N

InChI=1S/C18H17NOS/c20-18(21-15-8-2-1-3-9-15)12-6-7-14-13-19-17-11-5-4-10-16(14)17/h1-5,8-11,13,19H,6-7,12H2

HIDE SMILES / InChI

Molecular Formula	C18H17NOS
Molecular Weight	295.399
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 `Sat Dec 16 08:50:45 GMT 2023` Edited by `admin` on `Sat Dec 16 08:50:45 GMT 2023`
Record UNII	17SW2NLD7Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-PHENYL INDOLE-3-THIOLOBUTYRATE

Common Name

English

1H-INDOLE-3-BUTANETHIOIC ACID, S-PHENYL ESTER

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

128958

Created by admin on Sat Dec 16 08:50:45 GMT 2023 , Edited by admin on Sat Dec 16 08:50:45 GMT 2023

Code System Code Type Description

PUBCHEM

19879910

Created by admin on Sat Dec 16 08:50:45 GMT 2023 , Edited by admin on Sat Dec 16 08:50:45 GMT 2023

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FDA UNII

17SW2NLD7Q

Created by admin on Sat Dec 16 08:50:45 GMT 2023 , Edited by admin on Sat Dec 16 08:50:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID9058490

Created by admin on Sat Dec 16 08:50:45 GMT 2023 , Edited by admin on Sat Dec 16 08:50:45 GMT 2023

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CAS

85977-73-7

Created by admin on Sat Dec 16 08:50:45 GMT 2023 , Edited by admin on Sat Dec 16 08:50:45 GMT 2023

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