(5-methyl-2-propan-2-yl-cyclohexyl) 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C26H31N3O5S/c1-16(2)19-11-9-17(3)13-24(19)34-25(30)15-35-26-27-20-14-18(29(31)32)10-12-21(20)28(26)22-7-5-6-8-23(22)33-4/h5-8,10,12,14,16-17,19,24H,9,11,13,15H2,1-4H3