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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C(C)C

InChI

InChI=1S/C22H29N3O2S/c1-15(2)17-10-9-16(3)13-20(17)27-21(26)14-28-22-24-18-7-4-5-8-19(18)25(22)12-6-11-23/h4-5,7-8,15-17,20H,6,9-10,12-14H2,1-3H3