[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C20H14N4O7S3 MolecularWeight: 518.54276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H14N4O7S3/c25-17(22-20-21-15-8-7-12(24(27)28)10-16(15)33-20)11-31-19(26)13-4-1-2-5-14(13)23-34(29,30)18-6-3-9-32-18/h1-10,23H,11H2,(H,21,22,25)