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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(pyridine-3-carbonylamino)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridine-3-carbonylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[4-nicotinamido-2-(o-tolyl)benzoyl]amino]butyric acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-17-7-4-5-9-20(17)22-15-19(28-24(30)18-8-6-13-27-16-18)10-11-21(22)25(31)29-23(12-14-34-3)26(32)33-2/h4-11,13,15-16,23H,12,14H2,1-3H3,(H,28,30)(H,29,31)