[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C)C

InChI

InChI=1S/C21H20N2O4S/c1-13-6-7-17(14(2)9-13)19(24)11-26-21(25)18-5-4-8-22-20(18)28-12-16-10-15(3)27-23-16/h4-10H,11-12H2,1-3H3