2-[2-(1,3-benzodioxol-5-yl)ethyldisulfanyl]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyldisulfanyl]ethyl pyridine-3-carboxylate Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyldisulfanyl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[2-(1,3-benzodioxol-5-yl)ethyldisulfanyl]ethyl ester IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyldisulfanyl]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(homopiperonyldisulfanyl)ethyl ester Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S2/c19-17(14-2-1-6-18-11-14)20-7-9-24-23-8-5-13-3-4-15-16(10-13)22-12-21-15/h1-4,6,10-11H,5,7-9,12H2