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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C26H28N2O4S/c1-18-7-4-5-9-21(18)23-15-19(17-32-20-8-6-13-27-16-20)10-11-22(23)25(29)28-24(12-14-33-3)26(30)31-2/h4-11,13,15-16,24H,12,14,17H2,1-3H3,(H,28,29)