methyl (E,2E)-4-cyano-3-methylsulfanyl-4-(phenylsulfonyl)-2-(1H-pyridin-2-ylidene)but-3-enoate

Systemtic Name: methyl (E,2E)-4-cyano-3-methylsulfanyl-4-(phenylsulfonyl)-2-(1H-pyridin-2-ylidene)but-3-enoate Openeye Name: methyl (E,2E)-4-(benzenesulfonyl)-4-cyano-3-methylsulfanyl-2-(1H-pyridin-2-ylidene)but-3-enoate CAS Name: (E,2E)-4-(benzenesulfonyl)-4-cyano-3-(methylthio)-2-(1H-pyridin-2-ylidene)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2E)-4-(benzenesulfonyl)-4-cyano-3-methylsulfanyl-2-(1H-pyridin-2-ylidene)but-3-enoate Traditional Name: (E,2E)-4-besyl-4-cyano-3-(methylthio)-2-(1H-pyridin-2-ylidene)but-3-enoic acid methyl ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1C=CC=CN1)C(=C(C#N)S(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)/C(=C\1/C=CC=CN1)/C(=C(/C#N)\S(=O)(=O)C2=CC=CC=C2)/SC

InChI

InChI=1S/C18H16N2O4S2/c1-24-18(21)16(14-10-6-7-11-20-14)17(25-2)15(12-19)26(22,23)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b16-14-,17-15+