[4-(1,3-benzothiazol-2-yl)phenyl] 4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonate

Systemtic Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-sulfonate Openeye Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-methyl-2-oxo-3H-thiazole-5-sulfonate CAS Name: 4-methyl-2-oxo-3H-thiazole-5-sulfonic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)phenyl] 4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonate Traditional Name: 2-keto-4-methyl-4-thiazoline-5-sulfonic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C17H12N2O4S3 MolecularWeight: 404.48318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(SC(=O)N1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N2O4S3/c1-10-16(25-17(20)18-10)26(21,22)23-12-8-6-11(7-9-12)15-19-13-4-2-3-5-14(13)24-15/h2-9H,1H3,(H,18,20)