(4-ethanoylphenyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-acetylphenyl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid (4-acetylphenyl) ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H18N2O4S/c1-12-18(14(3)26-22-12)11-27-19-17(5-4-10-21-19)20(24)25-16-8-6-15(7-9-16)13(2)23/h4-10H,11H2,1-3H3