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

Systemtic Name: methyl 2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H17FN2O4S MolecularWeight: 400.423383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O4S/c1-27-20(26)17-18(25)14-4-2-3-5-15(14)23-19(17)28-11-16(24)22-10-12-6-8-13(21)9-7-12/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)