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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N3O4S2
Molecular Weight 387.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-[(2-Cyanoacetyl)amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid

SMILES

CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(NC(=O)CC#N)C=C3

InChI

InChIKey=ITAIHDRPLZCUND-UHFFFAOYSA-N
InChI=1S/C17H13N3O4S2/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[4-[(2-Cyanoacetyl)amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
Systematic Name English
7-Benzothiazolesulfonic acid, 2-[4-[(2-cyanoacetyl)amino]phenyl]-6-methyl-
Systematic Name English
7-Benzothiazolesulfonic acid, 2-[4-[(cyanoacetyl)amino]phenyl]-6-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
4HBC337FKK
Created by admin on Sat Dec 16 20:21:48 GMT 2023 , Edited by admin on Sat Dec 16 20:21:48 GMT 2023
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CAS
61791-85-3
Created by admin on Sat Dec 16 20:21:48 GMT 2023 , Edited by admin on Sat Dec 16 20:21:48 GMT 2023
PRIMARY