ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 6-cyclobutyl-4-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 6-cyclobutyl-4-ethyl-5-(ethylthio)carbonyl-2-phenyl-nicotinic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C(=O)SCC)C2CCC2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC(=C1C(=O)SCC)C2CCC2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H27NO3S/c1-4-17-18(22(25)27-5-2)20(15-11-8-7-9-12-15)24-21(16-13-10-14-16)19(17)23(26)28-6-3/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3