methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butyric acid methyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S/c1-19-7-4-5-9-22(19)24-17-20(10-11-21-8-6-15-28-18-21)12-13-23(24)26(30)29-25(14-16-33-3)27(31)32-2/h4-13,15,17-18,25H,14,16H2,1-3H3,(H,29,30)/b11-10+