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

Systemtic Name: methyl 4-methylsulfanyl-2-[[3-phenoxy-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[3-phenoxy-4-(3-pyridyloxymethyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[3-phenoxy-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[3-phenoxy-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[3-phenoxy-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)COC2=CN=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)COC2=CN=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-30-25(29)22(12-14-33-2)27-24(28)18-10-11-19(17-31-21-9-6-13-26-16-21)23(15-18)32-20-7-4-3-5-8-20/h3-11,13,15-16,22H,12,14,17H2,1-2H3,(H,27,28)