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

Systemtic Name: methyl 2-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(2-ethylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

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