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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2C3CCCC3)C)C

InChI

InChI=1S/C21H27N3O3S/c1-13-9-10-16(20(26)27-4)11-18(13)23-19(25)12-28-21-22-14(2)15(3)24(21)17-7-5-6-8-17/h9-11,17H,5-8,12H2,1-4H3,(H,23,25)