S-[1-(2,2-dimethylpropanoyl)-5-nitro-benzimidazol-2-yl] 2,2-dimethylpropanethioate

Systemtic Name: S-[1-(2,2-dimethylpropanoyl)-5-nitro-benzimidazol-2-yl] 2,2-dimethylpropanethioate Openeye Name: S-[1-(2,2-dimethylpropanoyl)-5-nitro-benzimidazol-2-yl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[1-(2,2-dimethyl-1-oxopropyl)-5-nitro-2-benzimidazolyl] ester IUPAC Name: S-[1-(2,2-dimethylpropanoyl)-5-nitrobenzimidazol-2-yl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-(5-nitro-1-pivaloyl-benzimidazol-2-yl) ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)C(C)(C)C

InChI

InChI=1S/C17H21N3O4S/c1-16(2,3)13(21)19-12-8-7-10(20(23)24)9-11(12)18-15(19)25-14(22)17(4,5)6/h7-9H,1-6H3