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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCCO

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCCO

InChI

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