[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC(=O)NCCSC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC(=O)NCCSC3=CC=CC=C3)OC1

InChI

InChI=1S/C22H23NO5S/c24-21(23-11-14-29-18-5-2-1-3-6-18)16-28-22(25)10-8-17-7-9-19-20(15-17)27-13-4-12-26-19/h1-3,5-10,15H,4,11-14,16H2,(H,23,24)/b10-8+