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

Systemtic Name: 2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4S/c1-10(19)11-4-6-12(7-5-11)18-14(20)9-23-15-13(16(21)22)3-2-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,21,22)