N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-methyl-5-nitro-benzothiophene-2-carboxamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-4-27-16-7-5-13(9-17(16)26-3)12-21(2)20(23)19-11-14-10-15(22(24)25)6-8-18(14)28-19/h5-11H,4,12H2,1-3H3