propyl 6-ethyl-4-(2-hydroxyethyl)-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-pyridine-3-carboxylate

Systemtic Name: propyl 6-ethyl-4-(2-hydroxyethyl)-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-pyridine-3-carboxylate Openeye Name: propyl 6-ethyl-4-(2-hydroxyethyl)-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-pyridine-3-carboxylate CAS Name: 6-ethyl-4-(2-hydroxyethyl)-5-[(2-hydroxyethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-4-(2-hydroxyethyl)-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenylpyridine-3-carboxylate Traditional Name: 6-ethyl-4-(2-hydroxyethyl)-5-(2-hydroxyethylthio)carbonyl-2-phenyl-nicotinic acid propyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCCO)CCO

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCCO)CCO

InChI

InChI=1S/C22H27NO5S/c1-3-13-28-21(26)19-16(10-11-24)18(22(27)29-14-12-25)17(4-2)23-20(19)15-8-6-5-7-9-15/h5-9,24-25H,3-4,10-14H2,1-2H3