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

Systemtic Name: methyl 3-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2CC(C)C)C)C

InChI

InChI=1S/C20H27N3O3S/c1-12(2)10-23-15(5)14(4)21-20(23)27-11-18(24)22-17-9-16(19(25)26-6)8-7-13(17)3/h7-9,12H,10-11H2,1-6H3,(H,22,24)