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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]ethyl pyridine-3-carboxylate hydrochloride Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]ethyl pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid 2-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]ethyl ester hydrochloride IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]ethyl pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid 2-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]ethyl ester hydrochloride Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCSSCCOC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCSSCCOC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C18H19NO4S2.ClH/c20-18(15-4-1-7-19-12-15)21-8-10-25-24-9-2-3-14-5-6-16-17(11-14)23-13-22-16;/h1,4-7,11-12H,2-3,8-10,13H2;1H