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

Systemtic Name: 2-cyano-3-(4-ethoxyphenyl)-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 2-cyano-3-(4-ethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide CAS Name: 2-cyano-3-(4-ethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide IUPAC Name: 2-cyano-3-(4-ethoxyphenyl)-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-p-phenetyl-thiopropionamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

InChI

InChI=1S/C21H24N2O5S/c1-2-26-14-8-6-13(7-9-14)16(15(12-22)18(23)29)17-19(24)27-21(28-20(17)25)10-4-3-5-11-21/h6-9,15-16,24H,2-5,10-11H2,1H3,(H2,23,29)