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

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-13-7-8-17(10-14(13)2)20(25)16(4)27-22(26)19-6-5-9-23-21(19)29-12-18-11-15(3)28-24-18/h5-11,16H,12H2,1-4H3