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(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate; methanesulfonic acid

(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate; methanesulfonic acid

Systemtic Name:(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate; methanesulfonic acid
Openeye Name:(2-carbamimidoylbenzothiophen-6-yl) thiophene-2-carboxylate; methanesulfonic acid
CAS Name:methanesulfonic acid; 2-thiophenecarboxylic acid (2-carbamimidoyl-1-benzothiophen-6-yl) ester
IUPAC Name:(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate; methanesulfonic acid
Traditional Name:mesylic acid; thiophene-2-carboxylic acid (2-amidinobenzothiophen-6-yl) ester
Formula: C15H14N2O5S3
MolecularWeight: 398.47706
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)N


Isomeric SMILES

CS(=O)(=O)O.C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)N


InChI

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


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