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

Systemtic Name: 2-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]nicotinic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c1-2-3-11-24-14-8-6-13(7-9-14)20-16(21)12-25-17-15(18(22)23)5-4-10-19-17/h4-10H,2-3,11-12H2,1H3,(H,20,21)(H,22,23)