(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyloxazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-27-17-9-7-15(8-10-17)18(23)11-12-21(24)25-14-20-22-13-19(26-20)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3