[2-(2,5-dimethylphenyl)-3-oxidanylidene-4-thiaspiro[4.5]dec-1-en-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-3-oxidanylidene-4-thiaspiro[4.5]dec-1-en-1-yl] 2,2-dimethylpropanoate Openeye Name: [2-(2,5-dimethylphenyl)-3-oxo-4-thiaspiro[4.5]dec-1-en-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(2,5-dimethylphenyl)-3-oxo-4-thiaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-3-oxo-4-thiaspiro[4.5]dec-1-en-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(2,5-dimethylphenyl)-3-keto-4-thiaspiro[4.5]dec-1-en-1-yl] ester Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C3(CCCCC3)SC2=O)OC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C3(CCCCC3)SC2=O)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H28O3S/c1-14-9-10-15(2)16(13-14)17-18(25-20(24)21(3,4)5)22(26-19(17)23)11-7-6-8-12-22/h9-10,13H,6-8,11-12H2,1-5H3