2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-piperonyl-ethyl)thio]propionic acid Formula: C14H16O6S MolecularWeight: 312.33824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O6S/c1-8(13(15)16)21-12(14(17)18-2)6-9-3-4-10-11(5-9)20-7-19-10/h3-5,8,12H,6-7H2,1-2H3,(H,15,16)