6-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-(3,5-dimethoxyanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C16H16N2O5S/c1-22-12-5-11(6-13(7-12)23-2)18-14(19)9-24-15-4-3-10(8-17-15)16(20)21/h3-8H,9H2,1-2H3,(H,18,19)(H,20,21)