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

Systemtic Name: methyl 2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)OC)SCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C22H22N2O4S/c1-12-8-9-16-15(10-12)20(26)18(22(27)28-4)21(23-16)29-11-17(25)24-19-13(2)6-5-7-14(19)3/h5-10H,11H2,1-4H3,(H,23,26)(H,24,25)