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

Systemtic Name: 2-[(6-aminocarbonyl-9-azanyl-10-cyano-8-azaspiro[4.5]deca-7,9-dien-7-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(9-amino-6-carbamoyl-10-cyano-8-azaspiro[4.5]deca-7,9-dien-7-yl)sulfanyl]acetic acid CAS Name: 2-[(9-amino-6-carbamoyl-10-cyano-8-azaspiro[4.5]deca-7,9-dien-7-yl)thio]acetic acid IUPAC Name: 2-[(9-amino-6-carbamoyl-10-cyano-8-azaspiro[4.5]deca-7,9-dien-7-yl)sulfanyl]acetic acid Traditional Name: 2-[(9-amino-6-carbamoyl-10-cyano-8-azaspiro[4.5]deca-7,9-dien-7-yl)thio]acetic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC2(C1)C(C(=NC(=C2C#N)N)SCC(=O)O)C(=O)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/h9H,1-4,6,15H2,(H2,16,20)(H,18,19)