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

Systemtic Name: 2-[2-[(2,6-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,6-diethoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(2,6-diethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,6-diethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,6-diethoxyanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)OCC)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC=C1)OCC)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-3-24-13-8-5-9-14(25-4-2)16(13)20-15(21)11-26-17-12(18(22)23)7-6-10-19-17/h5-10H,3-4,11H2,1-2H3,(H,20,21)(H,22,23)