ethyl 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]pyridine-3-carboxylate hydrochloride

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]pyridine-3-carboxylate hydrochloride Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]pyridine-3-carboxylate hydrochloride CAS Name: 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]-3-pyridinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]pyridine-3-carboxylate hydrochloride Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)propyldisulfanyl]nicotinic acid ethyl ester hydrochloride Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN=C1)SSCCCC2=CC3=C(C=C2)OCO3.Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CN=C1)SSCCCC2=CC3=C(C=C2)OCO3.Cl

InChI

InChI=1S/C18H19NO4S2.ClH/c1-2-21-18(20)14-11-19-8-7-17(14)25-24-9-3-4-13-5-6-15-16(10-13)23-12-22-15;/h5-8,10-11H,2-4,9,12H2,1H3;1H