3-[3-(2-phenylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-(2-phenylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(2-phenylacetyl)amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H20N2O3S/c25-21(12-16-6-2-1-3-7-16)24-18-9-4-10-19(13-18)28-20(14-22(26)27)17-8-5-11-23-15-17/h1-11,13,15,20H,12,14H2,(H,24,25)(H,26,27)