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

Systemtic Name: ethyl (E,2E)-4-cyano-4-(4-methylphenyl)sulfonyl-3-methylsulfanyl-2-(1H-pyridin-2-ylidene)but-3-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-4-26-20(23)18(16-7-5-6-12-22-16)19(27-3)17(13-21)28(24,25)15-10-8-14(2)9-11-15/h5-12,22H,4H2,1-3H3/b18-16-,19-17+