[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate CAS Name: 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate Traditional Name: 3-keto-2,4-dihydro-1H-pyridazine-6-carboxylic acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CCC(=O)NN3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CCC(=O)NN3

InChI

InChI=1S/C16H17N3O6/c1-9(25-16(22)11-3-5-14(20)19-18-11)15(21)17-10-2-4-12-13(8-10)24-7-6-23-12/h2-4,8-9,18H,5-7H2,1H3,(H,17,21)(H,19,20)/t9-/m0/s1