propyl 2-(3-chlorophenyl)-4,6-diethyl-5-hexylsulfanylcarbonyl-pyridine-3-carboxylate

Systemtic Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-hexylsulfanylcarbonyl-pyridine-3-carboxylate Openeye Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-hexylsulfanylcarbonyl-pyridine-3-carboxylate CAS Name: 2-(3-chlorophenyl)-4,6-diethyl-5-[(hexylthio)-oxomethyl]-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-hexylsulfanylcarbonylpyridine-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-4,6-diethyl-5-(hexylthio)carbonyl-nicotinic acid propyl ester Formula: C26H34ClNO3S MolecularWeight: 476.07106

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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)Cl)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClNO3S/c1-5-9-10-11-16-32-26(30)22-20(7-3)23(25(29)31-15-6-2)24(28-21(22)8-4)18-13-12-14-19(27)17-18/h12-14,17H,5-11,15-16H2,1-4H3