propan-2-yl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid isopropyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-19(2)33-27(31)25(13-15-34-3)29-26(30)23-12-11-20(18-32-22-10-7-14-28-17-22)16-24(23)21-8-5-4-6-9-21/h4-12,14,16-17,19,25H,13,15,18H2,1-3H3,(H,29,30)