1,1,3-tris(oxidanylidene)-2-(thiophen-2-ylmethyl)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-(thiophen-2-ylmethyl)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1,3-trioxo-2-(2-thienylmethyl)-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1,3-trioxo-2-(thiophen-2-ylmethyl)-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1,3-trioxo-2-(thiophen-2-ylmethyl)-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-(2-thenyl)-1,2-benzothiazole-6-carboxylic acid Formula: C13H9NO5S2 MolecularWeight: 323.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C13H9NO5S2/c15-12-10-4-3-8(13(16)17)6-11(10)21(18,19)14(12)7-9-2-1-5-20-9/h1-6H,7H2,(H,16,17)