1,3-benzothiazole; ethanoic acid

Systemtic Name: 1,3-benzothiazole; ethanoic acid Openeye Name: acetic acid; 1,3-benzothiazole CAS Name: acetic acid; 1,3-benzothiazole IUPAC Name: acetic acid; 1,3-benzothiazole Traditional Name: acetic acid; 1,3-benzothiazole Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)N=CS2

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)N=CS2

InChI

InChI=1S/C7H5NS.C2H4O2/c1-2-4-7-6(3-1)8-5-9-7;1-2(3)4/h1-5H;1H3,(H,3,4)