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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-11-8-13(22-18-11)10-21-15(20)14-9-17-16(23-2)19(14)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3