methyl 6-chloranyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-4-oxo-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-1H-quinoline-3-carboxylate CAS Name: 6-chloro-4-oxo-2-[[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-oxo-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-4-keto-2-[[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H21ClN2O7S/c1-29-15-8-12(9-16(30-2)20(15)31-3)24-17(26)10-33-21-18(22(28)32-4)19(27)13-7-11(23)5-6-14(13)25-21/h5-9H,10H2,1-4H3,(H,24,26)(H,25,27)