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

Systemtic Name: 3-fluoranylpropyl 2-ethyl-3-ethylsulfanylcarbonyl-4-(3-oxidanylpropyl)-6-phenyl-5-propyl-2H-pyridine-5-carboxylate Openeye Name: 3-fluoropropyl 2-ethyl-3-ethylsulfanylcarbonyl-4-(3-hydroxypropyl)-6-phenyl-5-propyl-2H-pyridine-5-carboxylate CAS Name: 2-ethyl-3-[(ethylthio)-oxomethyl]-4-(3-hydroxypropyl)-6-phenyl-5-propyl-2H-pyridine-5-carboxylic acid 3-fluoropropyl ester IUPAC Name: 3-fluoropropyl 2-ethyl-3-ethylsulfanylcarbonyl-4-(3-hydroxypropyl)-6-phenyl-5-propyl-2H-pyridine-5-carboxylate Traditional Name: 2-ethyl-3-(ethylthio)carbonyl-4-(3-hydroxypropyl)-6-phenyl-5-propyl-2H-pyridine-5-carboxylic acid 3-fluoropropyl ester Formula: C26H36FNO4S MolecularWeight: 477.631743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=C(C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCCO)C(=O)OCCCF

Isomeric SMILES

CCCC1(C(=C(C(N=C1C2=CC=CC=C2)CC)C(=O)SCC)CCCO)C(=O)OCCCF

InChI

InChI=1S/C26H36FNO4S/c1-4-15-26(25(31)32-18-11-16-27)20(14-10-17-29)22(24(30)33-6-3)21(5-2)28-23(26)19-12-8-7-9-13-19/h7-9,12-13,21,29H,4-6,10-11,14-18H2,1-3H3