(5-phenyl-1,2-oxazol-3-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-28-21-22-13-18(24(21)17-10-6-3-7-11-17)20(25)26-14-16-12-19(27-23-16)15-8-4-2-5-9-15/h2-13H,14H2,1H3