ethyl 4-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 4-(homopiperonylthio)nicotinic acid ethyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN=C1)SCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C=CN=C1)SCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17NO4S/c1-2-20-17(19)13-10-18-7-5-16(13)23-8-6-12-3-4-14-15(9-12)22-11-21-14/h3-5,7,9-10H,2,6,8,11H2,1H3