3-methoxy-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]benzoic acid Openeye Name: 3-methoxy-4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]benzoic acid CAS Name: 3-methoxy-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]benzoic acid IUPAC Name: 3-methoxy-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]benzoic acid Traditional Name: 3-methoxy-4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]benzoic acid Formula: C16H14N2O6S2 MolecularWeight: 394.42216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=S)N2)S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=S)N2)S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C16H14N2O6S2/c1-23-10-4-5-12-11(8-10)17-16(25)18(12)26(21,22)14-6-3-9(15(19)20)7-13(14)24-2/h3-8H,1-2H3,(H,17,25)(H,19,20)