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

Systemtic Name: N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H18N4O6S/c1-3-29-15-7-5-12(10-16(15)30-4-2)20-23-24-21(31-20)22-19(26)18-11-13-9-14(25(27)28)6-8-17(13)32-18/h5-11H,3-4H2,1-2H3,(H,22,24,26)