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

Systemtic Name: 2-cyano-3-(3,4-dimethoxyphenyl)-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 2-cyano-3-(3,4-dimethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide CAS Name: 2-cyano-3-(3,4-dimethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide IUPAC Name: 2-cyano-3-(3,4-dimethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Traditional Name: 2-cyano-3-(3,4-dimethoxyphenyl)-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)thiopropionamide Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N)OC

InChI

InChI=1S/C21H24N2O6S/c1-26-14-7-6-12(10-15(14)27-2)16(13(11-22)18(23)30)17-19(24)28-21(29-20(17)25)8-4-3-5-9-21/h6-7,10,13,16,24H,3-5,8-9H2,1-2H3,(H2,23,30)