(2-carbamimidoyl-1,3-benzothiazol-6-yl) 5-chloranylthiophene-2-carboxylate; methanesulfonic acid

Systemtic Name: (2-carbamimidoyl-1,3-benzothiazol-6-yl) 5-chloranylthiophene-2-carboxylate; methanesulfonic acid Openeye Name: (2-carbamimidoyl-1,3-benzothiazol-6-yl) 5-chlorothiophene-2-carboxylate; methanesulfonic acid CAS Name: 5-chloro-2-thiophenecarboxylic acid (2-carbamimidoyl-1,3-benzothiazol-6-yl) ester; methanesulfonic acid IUPAC Name: (2-carbamimidoyl-1,3-benzothiazol-6-yl) 5-chlorothiophene-2-carboxylate; methanesulfonic acid Traditional Name: 5-chlorothiophene-2-carboxylic acid (2-amidino-1,3-benzothiazol-6-yl) ester; mesylic acid Formula: C14H12ClN3O5S3 MolecularWeight: 433.91018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC2=C(C=C1OC(=O)C3=CC=C(S3)Cl)SC(=N2)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC2=C(C=C1OC(=O)C3=CC=C(S3)Cl)SC(=N2)C(=N)N

InChI

InChI=1S/C13H8ClN3O2S2.CH4O3S/c14-10-4-3-8(20-10)13(18)19-6-1-2-7-9(5-6)21-12(17-7)11(15)16;1-5(2,3)4/h1-5H,(H3,15,16);1H3,(H,2,3,4)