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

Systemtic Name: methyl 4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-12(2)10-22-14(4)13(3)20-19(22)26-11-17(23)21-16-8-6-15(7-9-16)18(24)25-5/h6-9,12H,10-11H2,1-5H3,(H,21,23)