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

Systemtic Name: methyl 7-chloranyl-2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanyl-7-chloro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3-acetylanilino)-2-oxoethyl]thio]-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-7-chloro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3-acetylanilino)-2-keto-ethyl]thio]-7-chloro-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c1-11(25)12-4-3-5-14(8-12)23-17(26)10-30-20-18(21(28)29-2)19(27)15-7-6-13(22)9-16(15)24-20/h3-9H,10H2,1-2H3,(H,23,26)(H,24,27)