[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H20O5S2 MolecularWeight: 416.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4)OC1

InChI

InChI=1S/C21H20O5S2/c22-17(16-6-7-18-19(12-16)25-9-1-8-24-18)13-26-20(23)14-2-4-15(5-3-14)21-27-10-11-28-21/h2-7,12,21H,1,8-11,13H2