methyl 6-chloranyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-11-3-6-13(7-4-11)22-16(24)10-28-19-17(20(26)27-2)18(25)14-9-12(21)5-8-15(14)23-19/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)