2-(2-oxidanylidene-2-sulfanyl-ethyl)-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-2-sulfanyl-ethyl)-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-(2-oxo-2-sulfanyl-ethyl)-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-(2-mercapto-2-oxoethyl)-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-(2-oxo-2-sulfanylethyl)-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-(2-keto-2-mercapto-ethyl)-1,3-benzothiazole-5-carboxylic acid Formula: C10H7NO3S2 MolecularWeight: 253.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(S2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)CC(=O)S

InChI

InChI=1S/C10H7NO3S2/c12-9(15)4-8-11-6-3-5(10(13)14)1-2-7(6)16-8/h1-3H,4H2,(H,12,15)(H,13,14)