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

Systemtic Name: methyl 6-chloranyl-2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-6-chloro-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O6S/c1-29-20(27)11-3-6-13(7-4-11)23-16(25)10-31-19-17(21(28)30-2)18(26)14-9-12(22)5-8-15(14)24-19/h3-9H,10H2,1-2H3,(H,23,25)(H,24,26)