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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (5-methylisoxazol-3-yl)methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C16H15N3O4S/c1-10-6-12(18-22-10)8-21-16(20)14-4-3-5-17-15(14)24-9-13-7-11(2)23-19-13/h3-7H,8-9H2,1-2H3