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

Systemtic Name: 2-[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(4-sec-butylanilino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-butan-2-ylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-butan-2-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-sec-butylanilino)ethyl]thio]nicotinic acid Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-3-12(2)13-6-8-14(9-7-13)20-16(21)11-24-17-15(18(22)23)5-4-10-19-17/h4-10,12H,3,11H2,1-2H3,(H,20,21)(H,22,23)