10-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: 10-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-8-oxidanylidene-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: 10-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: 10-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: 10-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-methyl-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: 8-keto-10-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-methyl-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1CCC2(CC1)C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H23N3O3S/c1-14-7-9-22(10-8-14)17(11-23)20(27)25-21(18(22)12-24)29-13-19(26)15-3-5-16(28-2)6-4-15/h3-6,14,17H,7-10,13H2,1-2H3,(H,25,27)