6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H16ClN3O5S2
Molecular Weight	441.909
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)ON=C3C4=C(Cl)SC=C4)C(O)=O

InChI

InChIKey=OHXFUTDGKVLAAN-JRPNMDOOSA-N

InChI=1S/C17H16ClN3O5S2/c1-6-8(9(20-26-6)7-4-5-27-12(7)18)13(22)19-10-14(23)21-11(16(24)25)17(2,3)28-15(10)21/h4-5,10-11,15H,1-3H3,(H,19,22)(H,24,25)/t10-,11+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H16ClN3O5S2
Molecular Weight	441.909
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:36:18 GMT 2023` Edited by `admin` on `Sat Dec 16 18:36:18 GMT 2023`
Record UNII	S4T87DAL8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(3-(2-CHLORO-3-THIOPHENE)-5-METHYL-4-ISOXAZOLYL)PENICILLIN

Common Name

English

(2S,5R,6R)-6-((3-(2-CHLOROTHIOPHEN-3-YL)-5-METHYL-1,2-OXAZOLE-4-CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(3-(2-CHLORO-3-THIENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDO)-3,3-DIMETHYL-7-OXO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082695

Created by admin on Sat Dec 16 18:36:18 GMT 2023 , Edited by admin on Sat Dec 16 18:36:18 GMT 2023

PRIMARY

CAS

14465-04-4

Created by admin on Sat Dec 16 18:36:18 GMT 2023 , Edited by admin on Sat Dec 16 18:36:18 GMT 2023

PRIMARY

FDA UNII

S4T87DAL8K

Created by admin on Sat Dec 16 18:36:18 GMT 2023 , Edited by admin on Sat Dec 16 18:36:18 GMT 2023

PRIMARY

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