[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H20FNO3S MolecularWeight: 373.441103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO3S/c21-17-10-7-16(8-11-17)9-12-20(24)25-15-19(23)22-13-4-14-26-18-5-2-1-3-6-18/h1-3,5-12H,4,13-15H2,(H,22,23)/b12-9+