3-chloranyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OCC

InChI

InChI=1S/C21H18ClN3O4S/c1-3-27-14-10-9-12(11-15(14)28-4-2)20-24-25-21(29-20)23-19(26)18-17(22)13-7-5-6-8-16(13)30-18/h5-11H,3-4H2,1-2H3,(H,23,25,26)