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

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c17-12(16-10-5-2-1-3-6-10)9-20-13-11(14(18)19)7-4-8-15-13/h4,7-8,10H,1-3,5-6,9H2,(H,16,17)(H,18,19)