4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-ethylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 6-esyl-4-[(3-p-phenetyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-benzoxazin-3-one Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)CC

InChI

InChI=1S/C21H21N3O6S/c1-3-28-15-7-5-14(6-8-15)21-22-19(30-23-21)12-24-17-11-16(31(26,27)4-2)9-10-18(17)29-13-20(24)25/h5-11H,3-4,12-13H2,1-2H3