[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] 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)OC(C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-13-11-16(23-28-13)12-29-20-18(5-4-10-22-20)21(25)27-14(2)19(24)15-6-8-17(26-3)9-7-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1