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

Systemtic Name: methyl 3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C3CCCCC3)C

InChI

InChI=1S/C21H27N3O3S/c1-14-15(2)24(18-10-5-4-6-11-18)21(22-14)28-13-19(25)23-17-9-7-8-16(12-17)20(26)27-3/h7-9,12,18H,4-6,10-11,13H2,1-3H3,(H,23,25)