methyl 2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-hydroxyethyl)-5-nitro-2-benzimidazolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]thio]acetic acid methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-20-11(17)7-21-12-13-9-6-8(15(18)19)2-3-10(9)14(12)4-5-16/h2-3,6,16H,4-5,7H2,1H3