9-azanyl-10-cyano-7-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide

Systemtic Name: 9-azanyl-10-cyano-7-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Openeye Name: 9-amino-10-cyano-7-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide CAS Name: 9-amino-10-cyano-7-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide IUPAC Name: 9-amino-10-cyano-7-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Traditional Name: 9-amino-10-cyano-7-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-8-azaspiro[4.5]deca-7,9-diene-6-carboxamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=NC(=C2C#N)N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C(=O)N

Isomeric SMILES

C1CCC2(C1)C(C(=NC(=C2C#N)N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C(=O)N

InChI

InChI=1S/C22H20N4O4S/c23-10-14-18(24)26-20(17(19(25)28)22(14)7-3-4-8-22)31-11-15(27)13-9-12-5-1-2-6-16(12)30-21(13)29/h1-2,5-6,9,17H,3-4,7-8,11,24H2,(H2,25,28)