methyl 4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoate

Systemtic Name: methyl 4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoate Openeye Name: methyl 4-[5-(4-methylsulfonylphenyl)-4-phenyl-oxazol-2-yl]butanoate CAS Name: 4-[5-(4-methylsulfonylphenyl)-4-phenyl-2-oxazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazol-2-yl]butanoate Traditional Name: 4-[5-(4-mesylphenyl)-4-phenyl-oxazol-2-yl]butyric acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC1=NC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-26-19(23)10-6-9-18-22-20(15-7-4-3-5-8-15)21(27-18)16-11-13-17(14-12-16)28(2,24)25/h3-5,7-8,11-14H,6,9-10H2,1-2H3