2-(1,3-benzodioxol-5-ylmethyldisulfanyl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyldisulfanyl)ethyl pyridine-3-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-ylmethyldisulfanyl)ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(1,3-benzodioxol-5-ylmethyldisulfanyl)ethyl ester IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyldisulfanyl)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(piperonyldisulfanyl)ethyl ester Formula: C16H15NO4S2 MolecularWeight: 349.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSSCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSSCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H15NO4S2/c18-16(13-2-1-5-17-9-13)19-6-7-22-23-10-12-3-4-14-15(8-12)21-11-20-14/h1-5,8-9H,6-7,10-11H2