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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-(5-methoxy-1,2-oxazol-3-yl)-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(5-methoxyisoxazol-3-yl)-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-(5-methoxy-3-isoxazolyl)-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-(5-methoxy-1,2-oxazol-3-yl)-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-(5-methoxyisoxazol-3-yl)benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C18H16ClNO7S MolecularWeight: 425.84014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C18H16ClNO7S/c1-25-15-9-13(20-27-15)16-14(28(2,23)24)7-6-12(17(16)19)18(22)26-11-5-3-4-10(21)8-11/h6-9H,3-5H2,1-2H3