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

Systemtic Name: 9-[3-azanyl-2-cyano-1-(1H-indol-3-yl)-3-sulfanylidene-propyl]-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-8-olate Openeye Name: 9-[3-amino-2-cyano-1-(1H-indol-3-yl)-3-thioxo-propyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate CAS Name: 9-[3-amino-2-cyano-1-(1H-indol-3-yl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate IUPAC Name: 9-[3-amino-2-cyano-1-(1H-indol-3-yl)-3-sulfanylidenepropyl]-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-8-olate Traditional Name: 9-[3-amino-2-cyano-1-(1H-indol-3-yl)-3-thioxo-propyl]-10-keto-7,11-dioxaspiro[5.5]undec-8-en-8-olate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CNC4=CC=CC=C43)C(C#N)C(=S)N)[O-]

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CNC4=CC=CC=C43)C(C#N)C(=S)N)[O-]

InChI

InChI=1S/C21H21N3O4S/c22-10-13(18(23)29)16(14-11-24-15-7-3-2-6-12(14)15)17-19(25)27-21(28-20(17)26)8-4-1-5-9-21/h2-3,6-7,11,13,16,24-25H,1,4-5,8-9H2,(H2,23,29)/p-1