2-(1,3-benzothiazol-2-yl)ethanethioic S-acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)ethanethioic S-acid Openeye Name: 2-(1,3-benzothiazol-2-yl)ethanethioic S-acid CAS Name: 2-(1,3-benzothiazol-2-yl)ethanethioic S-acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)ethanethioic S-acid Traditional Name: 2-(1,3-benzothiazol-2-yl)thioacetic acid Formula: C9H7NOS2 MolecularWeight: 209.28798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC(=O)S

InChI

InChI=1S/C9H7NOS2/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)