[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4S/c22-18-8-6-17(7-9-18)19(24)10-11-21(26)27-14-20(25)23-12-13-28-15-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,25)