ethynyl 6-[2-[(E)-but-2-enoxy]-3-methylsulfanyl-phenyl]-2-ethyl-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=N1)C2=C(C(=CC=C2)SC)OCC=CC)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=N1)C2=C(C(=CC=C2)SC)OC/C=C/C)C(=O)OC#C

InChI

InChI=1S/C21H21NO3S/c1-5-8-14-25-20-15(10-9-11-19(20)26-4)18-13-12-16(17(6-2)22-18)21(23)24-7-3/h3,5,8-13H,6,14H2,1-2,4H3/b8-5+