N-(3,4-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H14N2O5S MolecularWeight: 358.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N2O5S/c1-23-13-5-3-11(9-14(13)24-2)18-17(20)16-8-10-7-12(19(21)22)4-6-15(10)25-16/h3-9H,1-2H3,(H,18,20)