2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO5S/c1-7(12(15)16)19-5-11(14)13-8-2-3-9-10(4-8)18-6-17-9/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,16)