ethyl (2Z)-2-(phenylsulfonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-2-(phenylsulfonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(benzenesulfonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-besylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S2/c1-3-12-21-16-11-10-14(18(22)25-4-2)13-17(16)26-19(21)20-27(23,24)15-8-6-5-7-9-15/h1,5-11,13H,4,12H2,2H3/b20-19-