2-[(5-nitro-1-benzothiophen-2-yl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(5-nitro-1-benzothiophen-2-yl)sulfonylamino]ethanoic acid Openeye Name: 2-[(5-nitrobenzothiophen-2-yl)sulfonylamino]acetic acid CAS Name: 2-[(5-nitro-1-benzothiophen-2-yl)sulfonylamino]acetic acid IUPAC Name: 2-[(5-nitro-1-benzothiophen-2-yl)sulfonylamino]acetic acid Traditional Name: 2-[(5-nitrobenzothiophen-2-yl)sulfonylamino]acetic acid Formula: C10H8N2O6S2 MolecularWeight: 316.31032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C10H8N2O6S2/c13-9(14)5-11-20(17,18)10-4-6-3-7(12(15)16)1-2-8(6)19-10/h1-4,11H,5H2,(H,13,14)