2-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-butoxyimino-ethanoyl]amino]-6-cyano-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid

Systemtic Name: 2-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-butoxyimino-ethanoyl]amino]-6-cyano-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Openeye Name: 2-[[(2E)-2-(2-aminothiazol-4-yl)-2-butoxyimino-acetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid CAS Name: 2-[[(2E)-2-(2-amino-4-thiazolyl)-2-butoxyimino-1-oxoethyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid IUPAC Name: 2-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-butoxyiminoacetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Traditional Name: 2-[[(2E)-2-(2-aminothiazol-4-yl)-2-butyloximino-acetyl]amino]-6-cyano-3-keto-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Formula: C17H19N7O5S MolecularWeight: 433.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON=C(C1=CSC(=N1)N)C(=O)NC2CN3CC(=C(N3C2=O)C(=O)O)C#N

Isomeric SMILES

CCCCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2CN3CC(=C(N3C2=O)C(=O)O)C#N

InChI

InChI=1S/C17H19N7O5S/c1-2-3-4-29-22-12(11-8-30-17(19)21-11)14(25)20-10-7-23-6-9(5-18)13(16(27)28)24(23)15(10)26/h8,10H,2-4,6-7H2,1H3,(H2,19,21)(H,20,25)(H,27,28)/b22-12+