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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H20N2O5S/c1-13-9-17(23-28-13)12-29-20-18(5-4-8-22-20)21(25)27-11-16-10-15(14(2)24)6-7-19(16)26-3/h4-10H,11-12H2,1-3H3