2-[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-1-methyl-ethyl]thio]nicotinic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-9(12(17)16-10-5-2-3-6-10)20-13-11(14(18)19)7-4-8-15-13/h4,7-10H,2-3,5-6H2,1H3,(H,16,17)(H,18,19)