2-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-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-prop-2-enoxyimino-ethanoyl]amino]-6-cyano-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Openeye Name: 2-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)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)-1-oxo-2-prop-2-enoxyiminoethyl]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-prop-2-enoxyiminoacetyl]amino]-6-cyano-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Traditional Name: 2-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-6-cyano-3-keto-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid Formula: C16H15N7O5S MolecularWeight: 417.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N7O5S/c1-2-3-28-21-11(10-7-29-16(18)20-10)13(24)19-9-6-22-5-8(4-17)12(15(26)27)23(22)14(9)25/h2,7,9H,1,3,5-6H2,(H2,18,20)(H,19,24)(H,26,27)/b21-11+