methyl 2-[[4-[(Z)-2-cyano-2-pyridin-3-yl-ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(Z)-2-cyano-2-pyridin-3-yl-ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(Z)-2-cyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(Z)-2-cyano-2-(3-pyridinyl)ethenyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(Z)-2-cyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=C(C#N)C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C(\C#N)/C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C28H27N3O3S/c1-19-7-4-5-9-23(19)25-16-20(15-22(17-29)21-8-6-13-30-18-21)10-11-24(25)27(32)31-26(12-14-35-3)28(33)34-2/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,31,32)/b22-15+