ethyl 2-(3-chlorophenyl)-4,6-diethyl-5-ethylsulfanylcarbonyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-(3-chlorophenyl)-4,6-diethyl-5-ethylsulfanylcarbonyl-pyridine-3-carboxylate Openeye Name: ethyl 2-(3-chlorophenyl)-4,6-diethyl-5-ethylsulfanylcarbonyl-pyridine-3-carboxylate CAS Name: 2-(3-chlorophenyl)-4,6-diethyl-5-[(ethylthio)-oxomethyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chlorophenyl)-4,6-diethyl-5-ethylsulfanylcarbonylpyridine-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-4,6-diethyl-5-(ethylthio)carbonyl-nicotinic acid ethyl ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H24ClNO3S/c1-5-15-17(21(25)27-8-4)16(6-2)23-19(18(15)20(24)26-7-3)13-10-9-11-14(22)12-13/h9-12H,5-8H2,1-4H3