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

Systemtic Name: (2,5-dimethylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (2,5-dimethylbenzyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13-6-7-14(2)16(9-13)11-24-20(23)18-5-4-8-21-19(18)26-12-17-10-15(3)25-22-17/h4-10H,11-12H2,1-3H3