5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-N-oxidanyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]benzothiophene-2-carbohydroxamic acid CAS Name: 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide Traditional Name: 5-[(homoveratrylamino)methyl]benzothiophene-2-carbohydroxamic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2)SC(=C3)C(=O)NO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2)SC(=C3)C(=O)NO)OC

InChI

InChI=1S/C20H22N2O4S/c1-25-16-5-3-13(10-17(16)26-2)7-8-21-12-14-4-6-18-15(9-14)11-19(27-18)20(23)22-24/h3-6,9-11,21,24H,7-8,12H2,1-2H3,(H,22,23)