1-benzothiophen-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonic acid

Systemtic Name: 1-benzothiophen-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonic acid Openeye Name: benzothiophen-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonic acid CAS Name: 2-carbamimidoyl-3-thiophenecarboxylic acid 1-benzothiophen-6-yl ester; methanesulfonic acid IUPAC Name: 1-benzothiophen-6-yl 2-carbamimidoylthiophene-3-carboxylate; methanesulfonic acid Traditional Name: 2-amidinothiophene-3-carboxylic acid benzothiophen-6-yl ester; mesylic acid Formula: C15H14N2O5S3 MolecularWeight: 398.47706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC2=C1C=CS2)OC(=O)C3=C(SC=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC2=C1C=CS2)OC(=O)C3=C(SC=C3)C(=N)N

InChI

InChI=1S/C14H10N2O2S2.CH4O3S/c15-13(16)12-10(4-6-20-12)14(17)18-9-2-1-8-3-5-19-11(8)7-9;1-5(2,3)4/h1-7H,(H3,15,16);1H3,(H,2,3,4)