4-chloranyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-chloranyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoate Formula: C16H9ClN3O5S2- MolecularWeight: 422.84276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H10ClN3O5S2/c17-8-1-3-10(15(22)23)12(5-8)18-14(21)7-26-16-19-11-4-2-9(20(24)25)6-13(11)27-16/h1-6H,7H2,(H,18,21)(H,22,23)/p-1