N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)oxazol-4-yl]methylsulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)-4-oxazolyl]methylthio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenyl)oxazol-4-yl]methylthio]propionamide Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CO2)CSCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CO2)CSCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5S/c1-25-17-5-2-14(3-6-17)21-23-16(11-26-21)12-29-9-8-20(24)22-15-4-7-18-19(10-15)28-13-27-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,22,24)