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

Systemtic Name: 9-[3-azanyl-2-cyano-1-(4-propan-2-ylphenyl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(4-isopropylphenyl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(4-propan-2-ylphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(4-propan-2-ylphenyl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-(3-amino-2-cyano-1-p-cumenyl-3-thioxo-propyl)-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C22H25N2O4S- MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)[O-])C(C#N)C(=S)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)[O-])C(C#N)C(=S)N

InChI

InChI=1S/C22H26N2O4S/c1-13(2)14-6-8-15(9-7-14)17(16(12-23)19(24)29)18-20(25)27-22(28-21(18)26)10-4-3-5-11-22/h6-9,13,16-17,25H,3-5,10-11H2,1-2H3,(H2,24,29)/p-1