ethyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)Cl)/S2)CC#C

InChI

InChI=1S/C19H15ClN2O4S2/c1-3-11-22-16-10-5-13(18(23)26-4-2)12-17(16)27-19(22)21-28(24,25)15-8-6-14(20)7-9-15/h1,5-10,12H,4,11H2,2H3/b21-19-