6-[2-(3-methylthiolan-2-yl)ethanoylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(3-methylthiolan-2-yl)ethanoylamino]pyridine-3-carboxylic acid Openeye Name: 6-[[2-(3-methyltetrahydrothiophen-2-yl)acetyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[2-(3-methyl-2-thiolanyl)-1-oxoethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-(3-methylthiolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[2-(3-methyltetrahydrothiophen-2-yl)acetyl]amino]nicotinic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC1CC(=O)NC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CCSC1CC(=O)NC2=NC=C(C=C2)C(=O)O

InChI

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