5,6-dimethoxy-4-nitro-N'-oxidanyl-1-benzothiophene-2-carboximidamide; methanesulfonic acid

Systemtic Name: 5,6-dimethoxy-4-nitro-N'-oxidanyl-1-benzothiophene-2-carboximidamide; methanesulfonic acid Openeye Name: N'-hydroxy-5,6-dimethoxy-4-nitro-benzothiophene-2-carboxamidine; methanesulfonic acid CAS Name: N'-hydroxy-5,6-dimethoxy-4-nitro-1-benzothiophene-2-carboximidamide; methanesulfonic acid IUPAC Name: N'-hydroxy-5,6-dimethoxy-4-nitro-1-benzothiophene-2-carboximidamide; methanesulfonic acid Traditional Name: N'-hydroxy-5,6-dimethoxy-4-nitro-benzothiophene-2-carboxamidine; mesylic acid Formula: C12H15N3O8S2 MolecularWeight: 393.3928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C(S2)C(=NO)N)C(=C1OC)[N+](=O)[O-].CS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C(S2)/C(=N\O)/N)C(=C1OC)[N+](=O)[O-].CS(=O)(=O)O

InChI

InChI=1S/C11H11N3O5S.CH4O3S/c1-18-6-4-7-5(3-8(20-7)11(12)13-15)9(14(16)17)10(6)19-2;1-5(2,3)4/h3-4,15H,1-2H3,(H2,12,13);1H3,(H,2,3,4)