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

Systemtic Name: methyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H13ClN2O4S2 MolecularWeight: 420.88982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4S2/c1-3-10-21-15-9-4-12(17(22)25-2)11-16(15)26-18(21)20-27(23,24)14-7-5-13(19)6-8-14/h1,4-9,11H,10H2,2H3/b20-18-