4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonyloxy-butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonyloxy-butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]oxy-butanoic acid CAS Name: 4-(methylthio)-2-[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methoxy]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]oxybutanoic acid Traditional Name: 4-(methylthio)-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]oxy-butyric acid Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5S/c1-31-13-11-22(23(26)27)30-24(28)20-10-9-17(16-29-19-8-5-12-25-15-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,26,27)