2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H20N2O3S/c1-3-12-7-5-8-13(4-2)16(12)20-15(21)11-24-17-14(18(22)23)9-6-10-19-17/h5-10H,3-4,11H2,1-2H3,(H,20,21)(H,22,23)