9-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile

Systemtic Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Openeye Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile CAS Name: 9-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile IUPAC Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-7-oxo-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Traditional Name: 9-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-7-keto-8-azaspiro[4.5]dec-9-ene-6,10-dicarbonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=O)N2)C#N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=O)N2)C#N)C#N)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-17-6-5-13(9-18(17)28-2)16(25)12-29-20-15(11-23)21(7-3-4-8-21)14(10-22)19(26)24-20/h5-6,9,14H,3-4,7-8,12H2,1-2H3,(H,24,26)