ethyl 5-[(4-methoxyphenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-methoxyphenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: ethyl 5-[(4-methoxybenzoyl)amino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methoxybenzoyl)amino]-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-5-(p-anisoylamino)-3-phenyl-imidazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-4-28-20(26)17-18(22-19(25)14-10-12-16(27-2)13-11-14)23-21(29-3)24(17)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,22,25)