2-(hydroxymethyl)-5-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one

Systemtic Name: 2-(hydroxymethyl)-5-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 2-(hydroxymethyl)-5-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 2-(hydroxymethyl)-5-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 2-(hydroxymethyl)-5-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]-2-methylol-6,7-dihydro-5H-benzothiophen-4-one Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(S2)CO)C(=O)C1CNCC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CC2=C(C=C(S2)CO)C(=O)C1CNCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C19H23NO4S/c21-11-16-8-17-18(25-16)7-6-13(19(17)23)9-20-10-14(22)12-24-15-4-2-1-3-5-15/h1-5,8,13-14,20-22H,6-7,9-12H2