J-110441

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17NO4S2
Molecular Weight	375.462
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3=CC4=CC=CC=C4S3)=C(N2C1=O)C(O)=O

InChI

InChIKey=MARAOMYICBQCLN-HFOBELJZSA-N

InChI=1S/C18H17NO4S2/c1-8-14-13(9(2)20)17(21)19(14)15(18(22)23)16(8)25-12-7-10-5-3-4-6-11(10)24-12/h3-9,13-14,20H,1-2H3,(H,22,23)/t8-,9-,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H17NO4S2
Molecular Weight	375.462
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:05:10 GMT 2025` Edited by `admin` on `Mon Mar 31 23:05:10 GMT 2025`
Record UNII	77G3SQE5XV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

J-110441

Code

English

1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(BENZO(B)THIEN-2-YLTHIO)-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-, (4R,5S,6S)-

Preferred Name

English

(4R,5S,6S)-3-(1-BENZOTHIOPHEN-2-YLSULFANYL)-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

J110441

Code

English

Code System Code Type Description

CAS

251949-13-0

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

FDA UNII

77G3SQE5XV

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

PUBCHEM

9822198

Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025

PRIMARY

Related Record Type Details


					77G3SQE5XV

J-110441

ACTIVE MOIETY