methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(p-anisidino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-26-13-9-7-12(8-10-13)21-16(23)11-28-19-17(20(25)27-2)18(24)14-5-3-4-6-15(14)22-19/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)