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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]nicotinic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H14N2O5S/c19-14(8-24-15-11(16(20)21)2-1-5-17-15)18-7-10-3-4-12-13(6-10)23-9-22-12/h1-6H,7-9H2,(H,18,19)(H,20,21)