(3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 3-[(2E)-2-allyloxyiminopropoxy]-2-chloro-4-ethylsulfonyl-benzoate CAS Name: 2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-ethylsulfonyl-3-[(2E)-2-prop-2-enoxyiminopropoxy]benzoate Traditional Name: 3-[(2E)-2-allyloximinopropoxy]-2-chloro-4-esyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OCC(=NOCC=C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)OC2=CC(=O)CCC2)Cl)OC/C(=N/OCC=C)/C

InChI

InChI=1S/C21H24ClNO7S/c1-4-11-29-23-14(3)13-28-20-18(31(26,27)5-2)10-9-17(19(20)22)21(25)30-16-8-6-7-15(24)12-16/h4,9-10,12H,1,5-8,11,13H2,2-3H3/b23-14+