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

Systemtic Name: 2-cyano-3-(3-methoxyphenyl)-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-methoxyphenyl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-methoxyphenyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-methoxyphenyl)propanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-methoxyphenyl)thiopropionamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-25-13-7-5-6-12(10-13)15(14(11-21)17(22)28)16-18(23)26-20(27-19(16)24)8-3-2-4-9-20/h5-7,10,14-15,23H,2-4,8-9H2,1H3,(H2,22,28)