tert-butyl 8-(4-methylphenyl)sulfonyl-9-oxidanylidene-8-azaspiro[4.4]non-3-ene-4-carboxylate

Systemtic Name: tert-butyl 8-(4-methylphenyl)sulfonyl-9-oxidanylidene-8-azaspiro[4.4]non-3-ene-4-carboxylate Openeye Name: tert-butyl 9-oxo-8-(p-tolylsulfonyl)-8-azaspiro[4.4]non-3-ene-4-carboxylate CAS Name: 8-(4-methylphenyl)sulfonyl-9-oxo-8-azaspiro[4.4]non-3-ene-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-(4-methylphenyl)sulfonyl-9-oxo-8-azaspiro[4.4]non-3-ene-4-carboxylate Traditional Name: 9-keto-8-tosyl-8-azaspiro[4.4]non-3-ene-4-carboxylic acid tert-butyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2=O)CCC=C3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2=O)CCC=C3C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO5S/c1-14-7-9-15(10-8-14)27(24,25)21-13-12-20(18(21)23)11-5-6-16(20)17(22)26-19(2,3)4/h6-10H,5,11-13H2,1-4H3