5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-bis(chloranyl)-2-sulfino-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-bis(chloranyl)-2-sulfino-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-dichloro-2-sulfino-3H-benzofuran-2-carboxylic acid CAS Name: 5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-dichloro-2-sulfino-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-dichloro-2-sulfino-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-(5-acetamido-1,3,4-thiadiazol-2-yl)-6,7-dichloro-2-sulfino-coumaran-2-carboxylic acid Formula: C13H9Cl2N3O6S2 MolecularWeight: 438.26306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)O

Isomeric SMILES

CC(=O)NC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)O

InChI

InChI=1S/C13H9Cl2N3O6S2/c1-4(19)16-12-18-17-10(25-12)6-2-5-3-13(11(20)21,26(22)23)24-9(5)8(15)7(6)14/h2H,3H2,1H3,(H,20,21)(H,22,23)(H,16,18,19)