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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]benzoate Formula: C17H14NO5S- MolecularWeight: 344.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H15NO5S/c19-16(9-24-15-4-2-1-3-12(15)17(20)21)18-8-11-5-6-13-14(7-11)23-10-22-13/h1-7H,8-10H2,(H,18,19)(H,20,21)/p-1