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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-homoveratryl-5-nitro-benzothiophene-2-carboxamide Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-25-15-5-3-12(9-16(15)26-2)7-8-20-19(22)18-11-13-10-14(21(23)24)4-6-17(13)27-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)