(5-ethanoyl-2-methoxy-phenyl)methyl 2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate CAS Name: 2-[(1,1-dioxo-3-thiolanyl)thio]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate Traditional Name: 2-[(1,1-diketothiolan-3-yl)thio]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22O6S2 MolecularWeight: 434.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SC3CCS(=O)(=O)C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SC3CCS(=O)(=O)C3

InChI

InChI=1S/C21H22O6S2/c1-14(22)15-7-8-19(26-2)16(11-15)12-27-21(23)18-5-3-4-6-20(18)28-17-9-10-29(24,25)13-17/h3-8,11,17H,9-10,12-13H2,1-2H3