3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]thio]propionic acid Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H11N3O5S2/c16-10(6-21-4-3-11(17)18)14-12-13-8-2-1-7(15(19)20)5-9(8)22-12/h1-2,5H,3-4,6H2,(H,17,18)(H,13,14,16)