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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H22N2O5S/c1-3-27-17-7-5-14(11-18(17)28-4-2)9-10-22-21(24)20-13-15-12-16(23(25)26)6-8-19(15)29-20/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,24)