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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (2-keto-2-methoxy-1-phenyl-ethyl) 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)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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