4-ethylsulfanyl-2-[(2-phenyl-4-pyridin-3-yloxy-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-[(2-phenyl-4-pyridin-3-yloxy-phenyl)carbonylamino]butanoic acid Openeye Name: 4-ethylsulfanyl-2-[[2-phenyl-4-(3-pyridyloxy)benzoyl]amino]butanoic acid CAS Name: 4-(ethylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinyloxy)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-ethylsulfanyl-2-[(2-phenyl-4-pyridin-3-yloxybenzoyl)amino]butanoic acid Traditional Name: 4-(ethylthio)-2-[[2-phenyl-4-(3-pyridyloxy)benzoyl]amino]butyric acid Formula: C24H24N2O4S MolecularWeight: 436.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)OC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4S/c1-2-31-14-12-22(24(28)29)26-23(27)20-11-10-18(30-19-9-6-13-25-16-19)15-21(20)17-7-4-3-5-8-17/h3-11,13,15-16,22H,2,12,14H2,1H3,(H,26,27)(H,28,29)