(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanoate IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionate Formula: C11H11O4S- MolecularWeight: 239.26764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C11H12O4S/c1-7(11(12)13)16-8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)/p-1/t7-/m0/s1