1,3-benzothiazol-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate

Systemtic Name: 1,3-benzothiazol-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate Openeye Name: 1,3-benzothiazol-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate CAS Name: 2-carbamimidoyl-3-thiophenecarboxylic acid 1,3-benzothiazol-6-yl ester; methanesulfonate IUPAC Name: 1,3-benzothiazol-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonate Traditional Name: 2-amidinothiophene-3-carboxylic acid 1,3-benzothiazol-6-yl ester mesylate Formula: C14H12N3O5S3- MolecularWeight: 398.45718

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC2=C(C=C1OC(=O)C3=C(SC=C3)C(=N)N)SC=N2

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC2=C(C=C1OC(=O)C3=C(SC=C3)C(=N)N)SC=N2

InChI

InChI=1S/C13H9N3O2S2.CH4O3S/c14-12(15)11-8(3-4-19-11)13(17)18-7-1-2-9-10(5-7)20-6-16-9;1-5(2,3)4/h1-6H,(H3,14,15);1H3,(H,2,3,4)/p-1