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

Systemtic Name: methyl 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22N2O6S/c1-12-5-7-15-14(9-12)20(26)19(22(27)30-4)21(24-15)31-11-18(25)23-13-6-8-16(28-2)17(10-13)29-3/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)