methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)prop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butyric acid methyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3S/c1-19-8-5-6-10-23(19)25-17-21(16-20(2)22-9-7-14-29-18-22)11-12-24(25)27(31)30-26(13-15-34-4)28(32)33-3/h5-12,14,16-18,26H,13,15H2,1-4H3,(H,30,31)/b20-16+