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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl2N3O4S2
Molecular Weight 486.392
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)SN=C3C4=C(Cl)C=CC=C4Cl)C(O)=O

InChI

InChIKey=HHTWSKYIGCRJIW-JKIFEVAISA-N
InChI=1S/C19H17Cl2N3O4S2/c1-7-10(12(23-30-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)29-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-(3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLECARBOXAMIDO)PENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
(2S,5R,6R)-6-(((3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)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-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
133082241
Created by admin on Sat Dec 16 15:05:21 GMT 2023 , Edited by admin on Sat Dec 16 15:05:21 GMT 2023
PRIMARY
FDA UNII
87L73AES5V
Created by admin on Sat Dec 16 15:05:21 GMT 2023 , Edited by admin on Sat Dec 16 15:05:21 GMT 2023
PRIMARY
CAS
754122-61-7
Created by admin on Sat Dec 16 15:05:21 GMT 2023 , Edited by admin on Sat Dec 16 15:05:21 GMT 2023
PRIMARY