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

Systemtic Name: propyl 4,6-diethyl-5-hexylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: propyl 4,6-diethyl-5-hexylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4,6-diethyl-5-[(hexylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 4,6-diethyl-5-hexylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 4,6-diethyl-5-(hexylthio)carbonyl-2-phenyl-nicotinic acid propyl ester Formula: C26H35NO3S MolecularWeight: 441.626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)C1=C(N=C(C(=C1CC)C(=O)OCCC)C2=CC=CC=C2)CC

Isomeric SMILES

CCCCCCSC(=O)C1=C(N=C(C(=C1CC)C(=O)OCCC)C2=CC=CC=C2)CC

InChI

InChI=1S/C26H35NO3S/c1-5-9-10-14-18-31-26(29)22-20(7-3)23(25(28)30-17-6-2)24(27-21(22)8-4)19-15-12-11-13-16-19/h11-13,15-16H,5-10,14,17-18H2,1-4H3