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

Systemtic Name: methyl 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H18N2O4S2/c1-26-20(25)17-18(24)14-8-3-4-9-15(14)22-19(17)28-11-16(23)21-12-6-5-7-13(10-12)27-2/h3-10H,11H2,1-2H3,(H,21,23)(H,22,24)