propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CC

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CC

InChI

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