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

Systemtic Name: 2-[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[(2-methylcyclohexyl)amino]ethyl]thio]nicotinic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-10-5-2-3-7-12(10)17-13(18)9-21-14-11(15(19)20)6-4-8-16-14/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,17,18)(H,19,20)