tert-butyl 5-[(3-chloranylthiophen-2-yl)carbonylamino]-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-[(3-chloranylthiophen-2-yl)carbonylamino]-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-[(3-chlorothiophene-2-carbonyl)amino]-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(3-chloro-2-thiophenyl)-oxomethyl]amino]-2-(dimethylamino)-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(3-chlorothiophene-2-carbonyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate Traditional Name: 5-[(3-chlorothiophene-2-carbonyl)amino]-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C21H23ClN4O3S MolecularWeight: 446.95032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)C3=C(C=CS3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)C3=C(C=CS3)Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-21(2,3)29-19(28)15-17(23-18(27)16-14(22)11-12-30-16)24-20(25(4)5)26(15)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,23,27)