ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 5-[(ethylthio)-oxomethyl]-6-methyl-2-phenyl-4-propyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 5-(ethylthio)carbonyl-6-methyl-2-phenyl-4-propyl-nicotinic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H25NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13H,5-7,11H2,1-4H3