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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (3-carbomethoxybenzyl) ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-13-9-16(22-27-13)12-28-18-17(7-4-8-21-18)20(24)26-11-14-5-3-6-15(10-14)19(23)25-2/h3-10H,11-12H2,1-2H3