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

Systemtic Name: (2,5-dimethylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid (2,5-dimethylbenzyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C21H22N2O3S/c1-13-7-8-14(2)17(10-13)11-25-21(24)18-6-5-9-22-20(18)27-12-19-15(3)23-26-16(19)4/h5-10H,11-12H2,1-4H3