methyl 2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-13-7-9-14(10-8-13)11-22-17(24)12-28-20-18(21(26)27-2)19(25)15-5-3-4-6-16(15)23-20/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)