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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-13-18(14(2)27-23-13)12-28-20-17(10-7-11-22-20)21(25)26-15(3)19(24)16-8-5-4-6-9-16/h4-11,15H,12H2,1-3H3