2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]acetic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSCC(=O)O

InChI

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