[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H18O6S MolecularWeight: 386.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H18O6S/c1-13(21)12-27-19-5-3-2-4-15(19)20(23)26-11-16(22)14-6-7-17-18(10-14)25-9-8-24-17/h2-7,10H,8-9,11-12H2,1H3