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

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-1H-quinoline-3-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C22H22N2O7S/c1-28-15-9-12(10-16(29-2)20(15)30-3)23-17(25)11-32-21-18(22(27)31-4)19(26)13-7-5-6-8-14(13)24-21/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)