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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylbutanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]thio]butanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1-methoxy-1-oxopropan-2-yl]sulfanylbutanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-piperonyl-ethyl)thio]butyric acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O6S/c1-3-12(14(16)17)22-13(15(18)19-2)7-9-4-5-10-11(6-9)21-8-20-10/h4-6,12-13H,3,7-8H2,1-2H3,(H,16,17)