ethyl 4-(1,3-benzodioxol-5-ylmethyldisulfanyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyldisulfanyl)pyridine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyldisulfanyl)pyridine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyldisulfanyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyldisulfanyl)pyridine-3-carboxylate Traditional Name: 4-(piperonyldisulfanyl)nicotinic acid ethyl ester Formula: C16H15NO4S2 MolecularWeight: 349.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN=C1)SSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C=CN=C1)SSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15NO4S2/c1-2-19-16(18)12-8-17-6-5-15(12)23-22-9-11-3-4-13-14(7-11)21-10-20-13/h3-8H,2,9-10H2,1H3