3-oxidanyl-4-[(6-oxidanylidene-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-oxidanyl-4-[(6-oxidanylidene-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-hydroxy-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 3-hydroxy-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-hydroxy-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 3-hydroxy-4-[(6-keto-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexanecarboxylic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)O)O)NCC2=NN=C3C(=C2)NC(=O)CS3

Isomeric SMILES

C1CC(C(CC1C(=O)O)O)NCC2=NN=C3C(=C2)NC(=O)CS3

InChI

InChI=1S/C14H18N4O4S/c19-11-3-7(14(21)22)1-2-9(11)15-5-8-4-10-13(18-17-8)23-6-12(20)16-10/h4,7,9,11,15,19H,1-3,5-6H2,(H,16,20)(H,21,22)