N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(benzylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(benzylthio)methyl]coumarilamide Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5)OCO2

InChI

InChI=1S/C26H21NO5S/c1-16(28)19-11-23-24(31-15-30-23)12-21(19)27-26(29)25-20(18-9-5-6-10-22(18)32-25)14-33-13-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,27,29)