2-[2-(thiolan-3-yl)propanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(thiolan-3-yl)propanoylamino]pyridine-3-carboxylic acid Openeye Name: 2-(2-tetrahydrothiophen-3-ylpropanoylamino)pyridine-3-carboxylic acid CAS Name: 2-[[1-oxo-2-(3-thiolanyl)propyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(thiolan-3-yl)propanoylamino]pyridine-3-carboxylic acid Traditional Name: 2-(2-tetrahydrothiophen-3-ylpropanoylamino)nicotinic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCSC1)C(=O)NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C1CCSC1)C(=O)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-8(9-4-6-19-7-9)12(16)15-11-10(13(17)18)3-2-5-14-11/h2-3,5,8-9H,4,6-7H2,1H3,(H,17,18)(H,14,15,16)