2-(1,3-benzodioxol-4-ylmethyl)-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-4-ylmethyl)-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-4-yl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(1,3-benzodioxol-4-yl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-4-yl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(1,3-benzodioxol-4-yl)propionic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=C2C(=CC=C1)OCO2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=C2C(=CC=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H14O5S/c1-8(14)19-6-10(13(15)16)5-9-3-2-4-11-12(9)18-7-17-11/h2-4,10H,5-7H2,1H3,(H,15,16)