9-[3-azanyl-2-cyano-1-(3,4-dimethoxyphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate

Systemtic Name: 9-[3-azanyl-2-cyano-1-(3,4-dimethoxyphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(3,4-dimethoxyphenyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(3,4-dimethoxyphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(3,4-dimethoxyphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(3,4-dimethoxyphenyl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C21H23N2O6S- MolecularWeight: 431.48212

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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)/p-1