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

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic 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] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O6/c1-15(22(28)24-17-7-9-19-20(13-17)31-12-11-30-19)32-23(29)18-8-10-21(27)26(25-18)14-16-5-3-2-4-6-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,28)/t15-/m0/s1