ethyl 5-(2-methylpropanoylamino)-2-methylsulfanyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-(2-methylpropanoylamino)-2-methylsulfanyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylate Openeye Name: ethyl 3-(4-isopropylphenyl)-5-(2-methylpropanoylamino)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-[(2-methyl-1-oxopropyl)amino]-2-(methylthio)-3-(4-propan-2-ylphenyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methylpropanoylamino)-2-methylsulfanyl-3-(4-propan-2-ylphenyl)imidazole-4-carboxylate Traditional Name: 5-(isobutyrylamino)-2-(methylthio)-3-p-cumenyl-imidazole-4-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1C2=CC=C(C=C2)C(C)C)SC)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1C2=CC=C(C=C2)C(C)C)SC)NC(=O)C(C)C

InChI

InChI=1S/C20H27N3O3S/c1-7-26-19(25)16-17(21-18(24)13(4)5)22-20(27-6)23(16)15-10-8-14(9-11-15)12(2)3/h8-13H,7H2,1-6H3,(H,21,24)