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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylsulfanyl)propanoic acid Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylsulfanyl)propanoic acid CAS Name: (2S)-2-(1,3-benzodioxol-5-ylthio)propanoic acid IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylsulfanyl)propanoic acid Traditional Name: (2S)-2-(1,3-benzodioxol-5-ylthio)propionic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C10H10O4S/c1-6(10(11)12)15-7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3,(H,11,12)/t6-/m0/s1