ethyl 4-ethyl-5-(2-methoxyethylsulfanylcarbonyl)-6-methyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-(2-methoxyethylsulfanylcarbonyl)-6-methyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 4-ethyl-5-(2-methoxyethylsulfanylcarbonyl)-6-methyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-ethyl-5-[(2-methoxyethylthio)-oxomethyl]-6-methyl-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-(2-methoxyethylsulfanylcarbonyl)-6-methyl-2-phenylpyridine-3-carboxylate Traditional Name: 4-ethyl-5-(2-methoxyethylthio)carbonyl-6-methyl-2-phenyl-nicotinic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C(=O)SCCOC)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC(=C1C(=O)SCCOC)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H25NO4S/c1-5-16-17(21(24)27-13-12-25-4)14(3)22-19(15-10-8-7-9-11-15)18(16)20(23)26-6-2/h7-11H,5-6,12-13H2,1-4H3