2-[(7-azanyl-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(7-azanyl-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetic acid CAS Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetic acid IUPAC Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)sulfanyl]acetic acid Traditional Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-7,9-dien-9-yl)thio]acetic acid Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c14-5-8-11(16)17-12(20-7-10(18)19)9(6-15)13(8)3-1-2-4-13/h8H,1-4,7H2,(H2,16,17)(H,18,19)