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

Systemtic Name: 2-[2-[(3-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(3-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-ethoxycarbonylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-carbethoxyanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-2-24-17(23)11-5-3-6-12(9-11)19-14(20)10-25-15-13(16(21)22)7-4-8-18-15/h3-9H,2,10H2,1H3,(H,19,20)(H,21,22)