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

Systemtic Name: methyl (E,2E)-4-cyano-4-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-(1H-pyridin-2-ylidene)but-3-enoate Openeye Name: methyl (E,2E)-4-cyano-3-methylsulfanyl-4-(p-tolylsulfonyl)-2-(1H-pyridin-2-ylidene)but-3-enoate CAS Name: (E,2E)-4-cyano-4-(4-methylphenyl)sulfonyl-3-(methylthio)-2-(1H-pyridin-2-ylidene)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2E)-4-cyano-4-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-(1H-pyridin-2-ylidene)but-3-enoate Traditional Name: (E,2E)-4-cyano-3-(methylthio)-2-(1H-pyridin-2-ylidene)-4-tosyl-but-3-enoic acid methyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(C(=C2C=CC=CN2)C(=O)OC)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C(=C\2/C=CC=CN2)\C(=O)OC)/SC)/C#N

InChI

InChI=1S/C19H18N2O4S2/c1-13-7-9-14(10-8-13)27(23,24)16(12-20)18(26-3)17(19(22)25-2)15-6-4-5-11-21-15/h4-11,21H,1-3H3/b17-15-,18-16+