3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-2-thenoic acid Formula: C19H14N2O4S3 MolecularWeight: 430.52046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=C(SC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=C(SC=C4)C(=O)O

InChI

InChI=1S/C19H14N2O4S3/c22-19(23)18-16(9-10-26-18)28(24,25)21-13-7-5-12(6-8-13)11-17-20-14-3-1-2-4-15(14)27-17/h1-10,21H,11H2,(H,22,23)