[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[(3-fluorobenzoyl)amino]acetate Traditional Name: 2-[(3-fluorobenzoyl)amino]acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C20H21FN2O4S/c21-16-7-4-6-15(12-16)20(26)23-13-19(25)27-14-18(24)22-10-5-11-28-17-8-2-1-3-9-17/h1-4,6-9,12H,5,10-11,13-14H2,(H,22,24)(H,23,26)