[1-(1,3-benzodioxol-5-yl)-2-methyl-propan-2-yl] 2-sulfanylideneethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-yl)-2-methyl-propan-2-yl] 2-sulfanylideneethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-1,1-dimethyl-ethyl] 2-thioxoacetate CAS Name: 2-sulfanylideneacetic acid [1-(1,3-benzodioxol-5-yl)-2-methylpropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2-methylpropan-2-yl] 2-sulfanylideneacetate Traditional Name: 2-thioxoacetic acid [2-(1,3-benzodioxol-5-yl)-1,1-dimethyl-ethyl] ester Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(C=C1)OCO2)OC(=O)C=S

Isomeric SMILES

CC(C)(CC1=CC2=C(C=C1)OCO2)OC(=O)C=S

InChI

InChI=1S/C13H14O4S/c1-13(2,17-12(14)7-18)6-9-3-4-10-11(5-9)16-8-15-10/h3-5,7H,6,8H2,1-2H3