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

Systemtic Name: methyl 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-28-21(27)18-19(26)15-4-2-3-5-16(15)24-20(18)29-12-17(25)23-11-10-13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)