1-[4-(dimethylaminomethyl)-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-3-yl]ethanone

Systemtic Name: 1-[4-(dimethylaminomethyl)-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-3-yl]ethanone Openeye Name: 1-[2-(benzylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-yl]ethanone CAS Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylmethylthio)methyl]-3-benzofuranyl]ethanone IUPAC Name: 1-[2-(benzylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-yl]ethanone Traditional Name: 1-[2-[(benzylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-yl]ethanone Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S/c1-14(23)20-19(13-26-12-15-7-5-4-6-8-15)25-18-10-9-17(24)16(21(18)20)11-22(2)3/h4-10,24H,11-13H2,1-3H3