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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridin-3-ylmethylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-pyridylmethylamino)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-pyridinylmethylamino)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridin-3-ylmethylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-pyridylmethylamino)benzoyl]amino]butyric acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C26H29N3O3S/c1-18-7-4-5-9-21(18)23-15-20(28-17-19-8-6-13-27-16-19)10-11-22(23)25(30)29-24(12-14-33-3)26(31)32-2/h4-11,13,15-16,24,28H,12,14,17H2,1-3H3,(H,29,30)