1-benzofuran-5-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate

Systemtic Name: 1-benzofuran-5-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate Openeye Name: benzofuran-5-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate CAS Name: 2-carbamimidoyl-3-thiophenecarboxylic acid 5-benzofuranyl ester; methanesulfonate IUPAC Name: 1-benzofuran-5-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate Traditional Name: 2-amidinothiophene-3-carboxylic acid benzofuran-5-yl ester mesylate Formula: C15H13N2O6S2- MolecularWeight: 381.40352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC2=C(C=CO2)C=C1OC(=O)C3=C(SC=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC2=C(C=CO2)C=C1OC(=O)C3=C(SC=C3)C(=N)N

InChI

InChI=1S/C14H10N2O3S.CH4O3S/c15-13(16)12-10(4-6-20-12)14(17)19-9-1-2-11-8(7-9)3-5-18-11;1-5(2,3)4/h1-7H,(H3,15,16);1H3,(H,2,3,4)/p-1