2-[[(6R)-6,10-dicyano-7-oxidanylidene-8-azaspiro[4.5]dec-9-en-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[(6R)-6,10-dicyano-7-oxidanylidene-8-azaspiro[4.5]dec-9-en-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(6R)-6,10-dicyano-7-oxo-8-azaspiro[4.5]dec-9-en-9-yl]sulfanyl]acetic acid CAS Name: 2-[[(6R)-6,10-dicyano-7-oxo-8-azaspiro[4.5]dec-9-en-9-yl]thio]acetic acid IUPAC Name: 2-[[(6R)-6,10-dicyano-7-oxo-8-azaspiro[4.5]dec-9-en-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[(6R)-6,10-dicyano-7-keto-8-azaspiro[4.5]dec-9-en-9-yl]thio]acetic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(C(=O)NC(=C2C#N)SCC(=O)O)C#N

Isomeric SMILES

C1CCC2(C1)[C@@H](C(=O)NC(=C2C#N)SCC(=O)O)C#N

InChI

InChI=1S/C13H13N3O3S/c14-5-8-11(19)16-12(20-7-10(17)18)9(6-15)13(8)3-1-2-4-13/h8H,1-4,7H2,(H,16,19)(H,17,18)/t8-/m1/s1