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

Systemtic Name: (phenylmethyl) 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-pyridine-3-carboxylate Openeye Name: benzyl 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-ethyl-5-[(ethylthio)-oxomethyl]-6-methyl-2-phenyl-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenylpyridine-3-carboxylate Traditional Name: 4-ethyl-5-(ethylthio)carbonyl-6-methyl-2-phenyl-nicotinic acid benzyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C(=O)SCC)C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=C1C(=O)SCC)C)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO3S/c1-4-20-21(25(28)30-5-2)17(3)26-23(19-14-10-7-11-15-19)22(20)24(27)29-16-18-12-8-6-9-13-18/h6-15H,4-5,16H2,1-3H3