2-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-cyclohexylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-cyclohexylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(4-cyclohexylanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H22N2O3S/c23-18(13-26-19-17(20(24)25)7-4-12-21-19)22-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6,13H2,(H,22,23)(H,24,25)