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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-28-21-23-14-18(24(21)17-10-6-3-7-11-17)20(26)27-15-19(25)22-13-12-16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,22,25)