[2-cyclopropylcarbonyl-5-(1,3-dimethyl-5-methylsulfinyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] benzoate

Systemtic Name: [2-cyclopropylcarbonyl-5-(1,3-dimethyl-5-methylsulfinyl-pyrazol-4-yl)-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [2-(cyclopropanecarbonyl)-5-(1,3-dimethyl-5-methylsulfinyl-pyrazol-4-yl)-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-[cyclopropyl(oxo)methyl]-5-(1,3-dimethyl-5-methylsulfinyl-4-pyrazolyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(cyclopropanecarbonyl)-5-(1,3-dimethyl-5-methylsulfinylpyrazol-4-yl)-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-(cyclopropanecarbonyl)-5-(1,3-dimethyl-5-methylsulfinyl-pyrazol-4-yl)-3-keto-cyclohexen-1-yl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2CC(=C(C(=O)C2)C(=O)C3CC3)OC(=O)C4=CC=CC=C4)S(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C2CC(=C(C(=O)C2)C(=O)C3CC3)OC(=O)C4=CC=CC=C4)S(=O)C)C

InChI

InChI=1S/C23H24N2O5S/c1-13-19(22(31(3)29)25(2)24-13)16-11-17(26)20(21(27)14-9-10-14)18(12-16)30-23(28)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3