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

Systemtic Name: methyl 2-[[2-(2-chlorophenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(2-chlorophenyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(2-chlorophenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chlorophenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-chlorophenyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H25ClN2O4S/c1-31-25(30)23(11-13-33-2)28-24(29)20-10-9-17(16-32-18-6-5-12-27-15-18)14-21(20)19-7-3-4-8-22(19)26/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,28,29)