butyl 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate Openeye Name: butyl 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetic acid butyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-3-4-11-28-19(24)13-29-20-21-15-12-14(23(25)26)9-10-16(15)22(20)17-7-5-6-8-18(17)27-2/h5-10,12H,3-4,11,13H2,1-2H3