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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=NO3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=NO3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C21H18N2O5S/c1-12-14-6-4-5-7-17(14)29-19(12)21(24)27-11-18-22-20(23-28-18)15-9-8-13(25-2)10-16(15)26-3/h4-10H,11H2,1-3H3