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

Systemtic Name: propyl 6-ethyl-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 6-ethyl-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 6-ethyl-5-[(2-hydroxyethylthio)-oxomethyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 6-ethyl-5-(2-hydroxyethylsulfanylcarbonyl)-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(2-hydroxyethylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCCO)CC)C2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCCO)CC)C2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3