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

Systemtic Name: methyl 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-12-8-13(2)10-14(9-12)22-17(24)11-28-20-18(21(26)27-3)19(25)15-6-4-5-7-16(15)23-20/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)