ethyl 5-[(3,4-dichlorophenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(3,4-dichlorophenyl)carbonylamino]-2-methylsulfanyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 3-benzyl-5-[(3,4-dichlorobenzoyl)amino]-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-[[(3,4-dichlorophenyl)-oxomethyl]amino]-2-(methylthio)-3-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-[(3,4-dichlorobenzoyl)amino]-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-benzyl-5-[(3,4-dichlorobenzoyl)amino]-2-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C21H19Cl2N3O3S MolecularWeight: 464.36486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=CC=C2)SC)NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O3S/c1-3-29-20(28)17-18(24-19(27)14-9-10-15(22)16(23)11-14)25-21(30-2)26(17)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,24,27)