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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-17(11-6-3-2-4-7-11)13(18)10-21-14-12(15(19)20)8-5-9-16-14/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,19,20)