[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CSCC3=CC=CC=C3)OC

InChI

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