methyl 7-chloranyl-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 7-chloranyl-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 7-chloro-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H19ClN2O5S/c1-3-29-14-7-5-13(6-8-14)23-17(25)11-30-20-18(21(27)28-2)19(26)15-9-4-12(22)10-16(15)24-20/h4-10H,3,11H2,1-2H3,(H,23,25)(H,24,26)