5-[[2-methyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 5-[[2-methyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 5-[(2-benzoylsulfanyl-2-methyl-propanoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[[2-(benzoylthio)-2-methyl-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(2-benzoylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[[2-(benzoylthio)-2-methyl-propanoyl]amino]nicotinic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-17(2,24-15(22)11-6-4-3-5-7-11)16(23)19-13-8-12(14(20)21)9-18-10-13/h3-10H,1-2H3,(H,19,23)(H,20,21)