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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)C

InChI

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