2-[4-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylpyridine-3-carboxylate

Systemtic Name: 2-[4-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylpyridine-3-carboxylate Openeye Name: 2-[4-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylpyridine-3-carboxylate CAS Name: 2-ethyl-3-pyridinecarboxylic acid 2-[4-[3-(methylthio)butoxy]phenyl]ethynyl ester IUPAC Name: 2-[4-(3-methylsulfanylbutoxy)phenyl]ethynyl 2-ethylpyridine-3-carboxylate Traditional Name: 2-ethylnicotinic acid 2-[4-[3-(methylthio)butoxy]phenyl]ethynyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=N1)C(=O)OC#CC2=CC=C(C=C2)OCCC(C)SC

Isomeric SMILES

CCC1=C(C=CC=N1)C(=O)OC#CC2=CC=C(C=C2)OCCC(C)SC

InChI

InChI=1S/C21H23NO3S/c1-4-20-19(6-5-13-22-20)21(23)25-15-12-17-7-9-18(10-8-17)24-14-11-16(2)26-3/h5-10,13,16H,4,11,14H2,1-3H3