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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3