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

Systemtic Name: 6,7-bis(chloranyl)-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-sulfino-3H-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-sulfino-3H-benzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-sulfino-3H-benzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-sulfino-3H-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-sulfino-coumaran-2-carboxylic acid Formula: C13H10Cl2N2O5S2 MolecularWeight: 409.2649

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)O

Isomeric SMILES

CCC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)O

InChI

InChI=1S/C13H10Cl2N2O5S2/c1-2-7-16-17-11(23-7)6-3-5-4-13(12(18)19,24(20)21)22-10(5)9(15)8(6)14/h3H,2,4H2,1H3,(H,18,19)(H,20,21)