methyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid methyl ester Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O4S/c1-17-9(14)5-18-10-11-7-3-2-6(13(15)16)4-8(7)12-10/h2-4H,5H2,1H3,(H,11,12)