[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)C=C1

InChI

InChI=1S/C21H20N2O5S/c1-12-4-5-13-10-18(29-17(13)8-12)21(24)27-11-19-22-20(23-28-19)14-6-7-15(25-2)16(9-14)26-3/h4-9,18H,10-11H2,1-3H3