2-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethyl]sulfanylpropanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)SC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)OCO2)SC(C)C(=O)O

InChI

InChI=1S/C14H16O6S/c1-3-18-14(17)12(21-8(2)13(15)16)9-4-5-10-11(6-9)20-7-19-10/h4-6,8,12H,3,7H2,1-2H3,(H,15,16)