N-(3-ethanoyl-2-oxidanyl-phenyl)-2-[(phenylmethylsulfanyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-(3-ethanoyl-2-oxidanyl-phenyl)-2-[(phenylmethylsulfanyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-(3-acetyl-2-hydroxy-phenyl)-2-(benzylsulfanylmethyl)-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-(3-acetyl-2-hydroxyphenyl)-2-[(phenylmethylthio)methyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-(3-acetyl-2-hydroxyphenyl)-2-(benzylsulfanylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-(3-acetyl-2-hydroxy-phenyl)-2-[(benzylthio)methyl]coumaran-5-carboxamide Formula: C25H23NO4S MolecularWeight: 433.51942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)OC(C3)CSCC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)OC(C3)CSCC4=CC=CC=C4)O

InChI

InChI=1S/C25H23NO4S/c1-16(27)21-8-5-9-22(24(21)28)26-25(29)18-10-11-23-19(12-18)13-20(30-23)15-31-14-17-6-3-2-4-7-17/h2-12,20,28H,13-15H2,1H3,(H,26,29)