(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoic acid Openeye Name: (2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoic acid CAS Name: (2S)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)propanoic acid IUPAC Name: (2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoic acid Traditional Name: (2S)-2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)propionic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(=O)SC[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H14O5S/c1-8(14)19-6-10(13(15)16)4-9-2-3-11-12(5-9)18-7-17-11/h2-3,5,10H,4,6-7H2,1H3,(H,15,16)/t10-/m1/s1