2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methoxy-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-keto-2-methoxy-ethyl]thio]acetic acid Formula: C14H16O6S MolecularWeight: 312.33824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OCCO2)SCC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)OCCO2)SCC(=O)O

InChI

InChI=1S/C14H16O6S/c1-18-14(17)12(21-8-13(15)16)7-9-2-3-10-11(6-9)20-5-4-19-10/h2-3,6,12H,4-5,7-8H2,1H3,(H,15,16)