3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-N-methyl-propanamide

Systemtic Name: 3-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-N-methyl-propanamide Openeye Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]-N-methyl-propanamide CAS Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]-N-methylpropanamide IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]-N-methylpropanamide Traditional Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]-N-methyl-propionamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CNC(=O)CCC1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C20H21NO4S/c1-21-18(23)9-5-12-4-8-16-14(10-12)20(26-3)19(25-16)13-6-7-15(22)17(11-13)24-2/h4,6-8,10-11,22H,5,9H2,1-3H3,(H,21,23)