(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoate CAS Name: 2-chloro-4-methylsulfonyl-3-[(3-phenyl-5-isoxazolyl)methoxy]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoate Traditional Name: 2-chloro-4-mesyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C24H20ClNO7S MolecularWeight: 501.9361

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OCC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OCC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C24H20ClNO7S/c1-34(29,30)21-11-10-19(24(28)32-17-9-5-8-16(27)12-17)22(25)23(21)31-14-18-13-20(26-33-18)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3