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

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-2-thenoic acid Formula: C18H12N2O4S3 MolecularWeight: 416.49388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(SC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=C(SC=C4)C(=O)O

InChI

InChI=1S/C18H12N2O4S3/c21-18(22)16-15(9-10-25-16)27(23,24)20-12-6-2-1-5-11(12)17-19-13-7-3-4-8-14(13)26-17/h1-10,20H,(H,21,22)