3-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]thiophene-2-carboxylic acid Openeye Name: 3-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]thiophene-2-carboxylic acid Traditional Name: 3-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]oxysulfonyl]-2-thenoic acid Formula: C14H11N3O7S2 MolecularWeight: 397.38304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C14H11N3O7S2/c1-23-14(20)17-13-15-8-3-2-7(6-9(8)16-13)24-26(21,22)10-4-5-25-11(10)12(18)19/h2-6H,1H3,(H,18,19)(H2,15,16,17,20)