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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]propionate Formula: C12H12NO5S- MolecularWeight: 282.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C12H13NO5S/c14-11(6-19-4-3-12(15)16)13-8-1-2-9-10(5-8)18-7-17-9/h1-2,5H,3-4,6-7H2,(H,13,14)(H,15,16)/p-1