2-[(10-aminocarbonyl-7-azanyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(10-aminocarbonyl-7-azanyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]ethanoate Openeye Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]acetate IUPAC Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]acetate Traditional Name: 2-[(7-amino-10-carbamoyl-6-cyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]acetate Formula: C13H15N4O3S- MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c14-5-7-10(15)17-12(21-6-8(18)19)9(11(16)20)13(7)3-1-2-4-13/h17H,1-4,6,15H2,(H2,16,20)(H,18,19)/p-1