N-[5,5-bis(oxidanyl)-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanimidate

Systemtic Name: N-[5,5-bis(oxidanyl)-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanimidate Openeye Name: N-(5,5-dihydroxy-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanimidate CAS Name: N-(5,5-dihydroxy-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(1-pyrrolidin-1-iumyl)ethanimidate IUPAC Name: N-(5,5-dihydroxy-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-ylethanimidate Traditional Name: N-(5,5-dihydroxy-7-keto-4,6-dihydro-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetimidate Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=NC2=NC3=C(S2)C(=O)CC(C3)(O)O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC(=NC2=NC3=C(S2)C(=O)CC(C3)(O)O)[O-]

InChI

InChI=1S/C13H17N3O4S/c17-9-6-13(19,20)5-8-11(9)21-12(14-8)15-10(18)7-16-3-1-2-4-16/h19-20H,1-7H2,(H,14,15,18)