O1-(phenylmethyl) O3-(phenylmethylsulfanyl) 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]propanedioate

Systemtic Name: O1-(phenylmethyl) O3-(phenylmethylsulfanyl) 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]propanedioate Openeye Name: O1-benzyl O3-benzylsulfanyl 2-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]propanedioate CAS Name: 2-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]propanedioic acid O1-(phenylmethyl) ester O3-(phenylmethylthio) ester IUPAC Name: 3-O-benzyl 1-O-benzylsulfanyl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]propanedioate Traditional Name: 2-[(5-methyl-2-phenyl-oxazol-4-yl)methoxy]malonic acid O1-benzyl ester O3-(benzylthio) ester Formula: C28H25NO6S MolecularWeight: 503.5662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(C(=O)OCC3=CC=CC=C3)C(=O)OSCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(C(=O)OCC3=CC=CC=C3)C(=O)OSCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6S/c1-20-24(29-26(34-20)23-15-9-4-10-16-23)18-32-25(27(30)33-17-21-11-5-2-6-12-21)28(31)35-36-19-22-13-7-3-8-14-22/h2-16,25H,17-19H2,1H3