2-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[cyclopropyl(ethyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCN(C1CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-2-15(9-5-6-9)11(16)8-19-12-10(13(17)18)4-3-7-14-12/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)