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

Systemtic Name: methyl 2-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(o-phenetidino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-3-28-16-11-7-6-10-15(16)22-17(24)12-29-20-18(21(26)27-2)19(25)13-8-4-5-9-14(13)23-20/h4-11H,3,12H2,1-2H3,(H,22,24)(H,23,25)