3-[4-(2-phenylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-(2-phenylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[(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=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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