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

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]acetamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide Traditional Name: 2-(benzylthio)-N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-25-18-9-8-16(10-20(18)26-2)19-11-17(23-27-19)12-22-21(24)14-28-13-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,22,24)