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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]benzoic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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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)