[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H17NO4S/c1-13-18(19(21-25-13)15-6-4-3-5-7-15)20(23)24-12-17(22)14-8-10-16(26-2)11-9-14/h3-11H,12H2,1-2H3