ethyl 6-[2-[4-[(E)-3-methylsulfanylbut-2-enoxy]phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-[(E)-3-methylsulfanylbut-2-enoxy]phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[4-[(E)-3-methylsulfanylbut-2-enoxy]phenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[4-[(E)-3-(methylthio)but-2-enoxy]phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[4-[(E)-3-methylsulfanylbut-2-enoxy]phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[4-[(E)-3-(methylthio)but-2-enoxy]phenyl]ethynyl]nicotinic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=C(C=C2)OC/C=C(\C)/SC

InChI

InChI=1S/C21H21NO3S/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)26-3/h6-8,10-13,15H,4,14H2,1-3H3/b16-13+