2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-propan-2-ylphenyl)propanethioamide

Systemtic Name: 2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-propan-2-ylphenyl)propanethioamide Openeye Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-isopropylphenyl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-propan-2-ylphenyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-propan-2-ylphenyl)propanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-p-cumenyl-thiopropionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

InChI

InChI=1S/C22H26N2O4S/c1-13(2)14-6-8-15(9-7-14)17(16(12-23)19(24)29)18-20(25)27-22(28-21(18)26)10-4-3-5-11-22/h6-9,13,16-17,25H,3-5,10-11H2,1-2H3,(H2,24,29)