(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO5S/c1-14-18(15(2)28-23-14)13-29-19-12-8-7-11-17(19)21(24)27-20(22(25)26-3)16-9-5-4-6-10-16/h4-12,20H,13H2,1-3H3