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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]nicotinic acid Formula: C16H15NO5S MolecularWeight: 333.359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-21-13-6-5-10(8-14(13)22-2)12(18)9-23-15-11(16(19)20)4-3-7-17-15/h3-8H,9H2,1-2H3,(H,19,20)