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

Systemtic Name: ethyl (2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-prop-2-ynyl-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-propargyl-2-tosylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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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)C)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S2/c1-4-12-22-17-11-8-15(19(23)26-5-2)13-18(17)27-20(22)21-28(24,25)16-9-6-14(3)7-10-16/h1,6-11,13H,5,12H2,2-3H3/b21-20-