3-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(3-pyridylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-(3-pyridinyl)propyl]amino]benzoic acid IUPAC Name: 3-[[2-(pyridin-3-ylmethyl)-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-3-(3-pyridyl)propanoyl]amino]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC2=CN=CC=C2)CS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CC2=CN=CC=C2)CS)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c19-15(13(10-22)7-11-3-2-6-17-9-11)18-14-5-1-4-12(8-14)16(20)21/h1-6,8-9,13,22H,7,10H2,(H,18,19)(H,20,21)