[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

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