methyl (E)-6-[3-[(2,2-dicyano-1-methylsulfanyl-ethenyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[3-[(2,2-dicyano-1-methylsulfanyl-ethenyl)amino]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[3-[(2,2-dicyano-1-methylsulfanyl-vinyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[3-[[2,2-dicyano-1-(methylthio)ethenyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[(2,2-dicyano-1-methylsulfanylethenyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[3-[[2,2-dicyano-1-(methylthio)vinyl]amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC(=CC=C1)NC(=C(C#N)C#N)SC)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC(=CC=C1)NC(=C(C#N)C#N)SC)/C2=CN=CC=C2

InChI

InChI=1S/C23H22N4O2S/c1-29-22(28)11-4-3-10-21(18-8-6-12-26-16-18)17-7-5-9-20(13-17)27-23(30-2)19(14-24)15-25/h5-10,12-13,16,27H,3-4,11H2,1-2H3/b21-10+