3-(1,3-benzodioxol-5-yl)-2-(ethanoylsulfanylmethyl)butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(ethanoylsulfanylmethyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)butyric acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H16O5S/c1-8(11(14(16)17)6-20-9(2)15)10-3-4-12-13(5-10)19-7-18-12/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)