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

Systemtic Name: (4-methoxycarbonylphenyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid (4-carbomethoxyphenyl) ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-12-17(13(2)27-22-12)11-28-18-16(5-4-10-21-18)20(24)26-15-8-6-14(7-9-15)19(23)25-3/h4-10H,11H2,1-3H3