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

Systemtic Name: 2-(hydroxymethyl)-3-[[(2-oxidanyl-3-phenoxy-cyclopentyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 2-(hydroxymethyl)-3-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 2-(hydroxymethyl)-3-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 2-(hydroxymethyl)-3-[[(2-hydroxy-3-phenoxycyclopentyl)amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 3-[[(2-hydroxy-3-phenoxy-cyclopentyl)amino]methyl]-2-methylol-6,7-dihydro-5H-benzothiophen-4-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(S2)CO)CNC3CCC(C3O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(S2)CO)CNC3CCC(C3O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO4S/c23-12-19-14(20-16(24)7-4-8-18(20)27-19)11-22-15-9-10-17(21(15)25)26-13-5-2-1-3-6-13/h1-3,5-6,15,17,21-23,25H,4,7-12H2