4-[(2S)-2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl]-5-tert-butyl-1,2-thiazol-3-olate

Systemtic Name: 4-[(2S)-2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl]-5-tert-butyl-1,2-thiazol-3-olate Openeye Name: 4-[(2S)-2-azaniumyl-3-hydroxy-3-oxo-propyl]-5-tert-butyl-isothiazol-3-olate CAS Name: 4-[(2S)-2-ammonio-3-hydroxy-3-oxopropyl]-5-tert-butyl-3-isothiazololate IUPAC Name: 4-[(2S)-2-azaniumyl-3-hydroxy-3-oxopropyl]-5-tert-butyl-1,2-thiazol-3-olate Traditional Name: 4-[(2S)-2-ammonio-3-hydroxy-3-keto-propyl]-5-tert-butyl-isothiazol-3-olate Formula: C10H16N2O3S MolecularWeight: 244.31064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NS1)[O-])CC(C(=O)O)[NH3+]

Isomeric SMILES

CC(C)(C)C1=C(C(=NS1)[O-])C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1