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

Systemtic Name: 3-[4-(propanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-(propanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-(1-oxopropylamino)phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-(propanoylamino)phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[(4-propionamidophenyl)thio]-3-(3-pyridyl)propionic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-2-16(20)19-13-5-7-14(8-6-13)23-15(10-17(21)22)12-4-3-9-18-11-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)(H,21,22)