(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H23NO5S/c1-15-9-20(25-2)21(26-3)10-17(15)13-29-14-22(24)27-12-18-11-19(28-23-18)16-7-5-4-6-8-16/h4-11H,12-14H2,1-3H3