O6-(phenylmethyl) O5-prop-2-enyl (2R)-2-[[(2E)-2-methoxyimino-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]ethanoyl]amino]-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate

Systemtic Name: O6-(phenylmethyl) O5-prop-2-enyl (2R)-2-[[(2E)-2-methoxyimino-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]ethanoyl]amino]-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate Openeye Name: O5-allyl O6-benzyl (2R)-2-[[(2E)-2-[2-(allyloxycarbonylamino)thiazol-4-yl]-2-methoxyimino-acetyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate CAS Name: (2R)-2-[[(2E)-2-methoxyimino-1-oxo-2-[2-[[oxo(prop-2-enoxy)methyl]amino]-4-thiazolyl]ethyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylic acid O6-(phenylmethyl) ester O5-prop-2-enyl ester IUPAC Name: 6-O-benzyl 5-O-prop-2-enyl (2R)-2-[[(2E)-2-methoxyimino-2-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylate Traditional Name: (2R)-2-[[(2E)-2-[2-(allyloxycarbonylamino)thiazol-4-yl]-2-methyloximino-acetyl]amino]-3-keto-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5,6-dicarboxylic acid O5-allyl ester O6-benzyl ester Formula: C28H28N6O9S MolecularWeight: 624.62172

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(=O)OCC=C)C(=O)NC2CN3CC(=C(N3C2=O)C(=O)OCC=C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC(=O)OCC=C)/C(=O)N[C@@H]2CN3CC(=C(N3C2=O)C(=O)OCC=C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N6O9S/c1-4-11-41-26(38)22-18(25(37)43-15-17-9-7-6-8-10-17)13-33-14-19(24(36)34(22)33)29-23(35)21(32-40-3)20-16-44-27(30-20)31-28(39)42-12-5-2/h4-10,16,19H,1-2,11-15H2,3H3,(H,29,35)(H,30,31,39)/b32-21+/t19-/m1/s1