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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO3S/c21-17-7-4-6-16(14-17)10-11-20(24)25-15-19(23)22-12-5-13-26-18-8-2-1-3-9-18/h1-4,6-11,14H,5,12-13,15H2,(H,22,23)/b11-10+