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

Systemtic Name: ethyl (E,2E)-4-cyano-3-methylsulfanyl-4-(phenylsulfonyl)-2-(1H-pyridin-2-ylidene)but-3-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S2/c1-3-25-19(22)17(15-11-7-8-12-21-15)18(26-2)16(13-20)27(23,24)14-9-5-4-6-10-14/h4-12,21H,3H2,1-2H3/b17-15-,18-16+