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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)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-methoxy-5-methyl-benzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-13-7-8-19(25-4)16(10-13)11-26-21(24)17-6-5-9-22-20(17)28-12-18-14(2)23-27-15(18)3/h5-10H,11-12H2,1-4H3