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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]nicotinic acid Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H13NO4S/c1-20-11-6-4-10(5-7-11)13(17)9-21-14-12(15(18)19)3-2-8-16-14/h2-8H,9H2,1H3,(H,18,19)