propyl 2-(3-chlorophenyl)-5-ethylsulfanylcarbonyl-6-(2-hydroxyethyl)-4-propyl-pyridine-3-carboxylate

Systemtic Name: propyl 2-(3-chlorophenyl)-5-ethylsulfanylcarbonyl-6-(2-hydroxyethyl)-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 2-(3-chlorophenyl)-5-ethylsulfanylcarbonyl-6-(2-hydroxyethyl)-4-propyl-pyridine-3-carboxylate CAS Name: 2-(3-chlorophenyl)-5-[(ethylthio)-oxomethyl]-6-(2-hydroxyethyl)-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 2-(3-chlorophenyl)-5-ethylsulfanylcarbonyl-6-(2-hydroxyethyl)-4-propylpyridine-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-(ethylthio)carbonyl-6-(2-hydroxyethyl)-4-propyl-nicotinic acid propyl ester Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4S/c1-4-8-17-19(23(28)30-6-3)18(11-12-26)25-21(15-9-7-10-16(24)14-15)20(17)22(27)29-13-5-2/h7,9-10,14,26H,4-6,8,11-13H2,1-3H3