2-[2-[3-(phenylcarbonyl)phenyl]propanoylsulfanyl]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[2-[3-(phenylcarbonyl)phenyl]propanoylsulfanyl]ethyl pyridine-3-carboxylate Openeye Name: 2-[2-(3-benzoylphenyl)propanoylsulfanyl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[2-(3-benzoylphenyl)-1-oxopropyl]thio]ethyl ester IUPAC Name: 2-[2-(3-benzoylphenyl)propanoylsulfanyl]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[2-(3-benzoylphenyl)propanoylthio]ethyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)SCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)SCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C24H21NO4S/c1-17(24(28)30-14-13-29-23(27)21-11-6-12-25-16-21)19-9-5-10-20(15-19)22(26)18-7-3-2-4-8-18/h2-12,15-17H,13-14H2,1H3