2,3-dihydro-1,3-benzothiazole; ethyl hydrogen sulfate

Systemtic Name: 2,3-dihydro-1,3-benzothiazole; ethyl hydrogen sulfate Openeye Name: 2,3-dihydro-1,3-benzothiazole; ethyl hydrogen sulfate CAS Name: 2,3-dihydro-1,3-benzothiazole; sulfuric acid ethyl ester IUPAC Name: 2,3-dihydro-1,3-benzothiazole; ethyl hydrogen sulfate Traditional Name: 2,3-dihydro-1,3-benzothiazole; sulfuric acid ethyl ester Formula: C9H13NO4S2 MolecularWeight: 263.33382

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)O.C1NC2=CC=CC=C2S1

Isomeric SMILES

CCOS(=O)(=O)O.C1NC2=CC=CC=C2S1

InChI

InChI=1S/C7H7NS.C2H6O4S/c1-2-4-7-6(3-1)8-5-9-7;1-2-6-7(3,4)5/h1-4,8H,5H2;2H2,1H3,(H,3,4,5)