[2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [2-(2-methoxyethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C15H16N4O5S2 MolecularWeight: 396.44134

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COCCNC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H16N4O5S2/c1-23-7-6-16-15(20)19-14-17-11-5-4-10(9-12(11)18-14)24-26(21,22)13-3-2-8-25-13/h2-5,8-9H,6-7H2,1H3,(H3,16,17,18,19,20)