[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H23NO6S2 MolecularWeight: 473.56182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO6S2/c25-21(24-13-7-15-31-19-8-3-1-4-9-19)16-30-23(26)22-18(12-14-29-22)17-32(27,28)20-10-5-2-6-11-20/h1-6,8-12,14H,7,13,15-17H2,(H,24,25)