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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylmethoxymethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinylmethoxymethyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylmethoxymethyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridylmethoxymethyl)benzoyl]amino]butyric acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)COCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)COCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O4S/c1-31-26(30)24(12-14-33-2)28-25(29)22-11-10-19(15-23(22)21-8-4-3-5-9-21)17-32-18-20-7-6-13-27-16-20/h3-11,13,15-16,24H,12,14,17-18H2,1-2H3,(H,28,29)