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

Systemtic Name: S-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C11H9N3O4S2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4S2/c1-6(15)19-5-10(16)13-11-12-8-3-2-7(14(17)18)4-9(8)20-11/h2-4H,5H2,1H3,(H,12,13,16)