[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H19N3O3S/c1-28-21-22-14-18(24(21)16-6-3-2-4-7-16)20(26)27-17-11-9-15(10-12-17)23-13-5-8-19(23)25/h2-4,6-7,9-12,14H,5,8,13H2,1H3