6-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(4-butoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[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=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O

InChI

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