ethyl 6-[2-[4-(3-methylbut-2-enylsulfanyl)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-(3-methylbut-2-enylsulfanyl)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[4-(3-methylbut-2-enylsulfanyl)phenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[4-(3-methylbut-2-enylthio)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[4-(3-methylbut-2-enylsulfanyl)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[4-(3-methylbut-2-enylthio)phenyl]ethynyl]nicotinic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=C(C=C2)SCC=C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=C(C=C2)SCC=C(C)C

InChI

InChI=1S/C21H21NO2S/c1-4-24-21(23)18-8-10-19(22-15-18)9-5-17-6-11-20(12-7-17)25-14-13-16(2)3/h6-8,10-13,15H,4,14H2,1-3H3