methyl 3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2C3CCCCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-14-10-11-17(21(27)28-4)12-19(14)24-20(26)13-29-22-23-15(2)16(3)25(22)18-8-6-5-7-9-18/h10-12,18H,5-9,13H2,1-4H3,(H,24,26)