[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4S/c1-15-2-8-18(9-3-15)28-13-12-23-20(25)14-27-21(26)11-10-19(24)16-4-6-17(22)7-5-16/h2-9H,10-14H2,1H3,(H,23,25)