ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 6-butyl-4-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 6-butyl-4-ethyl-5-(ethylthio)carbonyl-2-phenyl-nicotinic acid ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC

InChI

InChI=1S/C23H29NO3S/c1-5-9-15-18-19(23(26)28-8-4)17(6-2)20(22(25)27-7-3)21(24-18)16-13-11-10-12-14-16/h10-14H,5-9,15H2,1-4H3