1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-dioxo-3-thiolanyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-dioxothiolan-3-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonium Formula: C13H17N2O2S2+ MolecularWeight: 297.41628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)C3CCS(=O)(=O)C3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C13H16N2O2S2/c1-15(10-6-7-19(16,17)9-10)8-13-14-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3/p+1/t10-/m0/s1