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

Systemtic Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propyl-pyridine-3-carboxylate Openeye Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propyl-pyridine-3-carboxylate CAS Name: 4-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-6-propyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propylpyridine-3-carboxylate Traditional Name: 4-ethyl-5-(ethylthio)carbonyl-2-phenyl-6-propyl-nicotinic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC

Isomeric SMILES

CCCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC

InChI

InChI=1S/C22H27NO3S/c1-5-12-17-18(22(25)27-8-4)16(6-2)19(21(24)26-7-3)20(23-17)15-13-10-9-11-14-15/h9-11,13-14H,5-8,12H2,1-4H3