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

Systemtic Name: methyl 6-chloranyl-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC)OC

InChI

InChI=1S/C21H19ClN2O6S/c1-28-15-7-5-12(9-16(15)29-2)23-17(25)10-31-20-18(21(27)30-3)19(26)13-8-11(22)4-6-14(13)24-20/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)