[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)C

InChI

InChI=1S/C21H21N3O3S/c1-14-9-15(2)11-16(10-14)23-19(25)13-27-20(26)18-12-22-21(28-3)24(18)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,25)