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

Systemtic Name: 2-[[4-[(Z)-2-cyano-2-pyridin-3-yl-ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(Z)-2-cyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(Z)-2-cyano-2-(3-pyridinyl)ethenyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(Z)-2-cyano-2-pyridin-3-ylethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(Z)-2-cyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H25N3O3S MolecularWeight: 471.5707

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-18-6-3-4-8-22(18)24-15-19(14-21(16-28)20-7-5-12-29-17-20)9-10-23(24)26(31)30-25(27(32)33)11-13-34-2/h3-10,12,14-15,17,25H,11,13H2,1-2H3,(H,30,31)(H,32,33)/b21-14+