tert-butyl 2-(dimethylamino)-3-phenyl-5-(2-thiophen-2-ylethanoylamino)imidazole-4-carboxylate

Systemtic Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-(2-thiophen-2-ylethanoylamino)imidazole-4-carboxylate Openeye Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-[[2-(2-thienyl)acetyl]amino]imidazole-4-carboxylate CAS Name: 2-(dimethylamino)-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-[(2-thiophen-2-ylacetyl)amino]imidazole-4-carboxylate Traditional Name: 2-(dimethylamino)-3-phenyl-5-[[2-(2-thienyl)acetyl]amino]imidazole-4-carboxylic acid tert-butyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)29-20(28)18-19(23-17(27)14-16-12-9-13-30-16)24-21(25(4)5)26(18)15-10-7-6-8-11-15/h6-13H,14H2,1-5H3,(H,23,27)