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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[5-(methoxymethyl)isoxazol-3-yl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[5-(methoxymethyl)-3-isoxazolyl]-4-methylsulfonylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-[5-(methoxymethyl)isoxazol-3-yl]benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

Isomeric SMILES

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)OC3=CC(=O)CCC3)S(=O)(=O)C

InChI

InChI=1S/C19H18ClNO7S/c1-26-10-13-9-15(21-28-13)17-16(29(2,24)25)7-6-14(18(17)20)19(23)27-12-5-3-4-11(22)8-12/h6-9H,3-5,10H2,1-2H3