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

Systemtic Name: 2-methyl-5-[[[(1S,2S,3R)-2-oxidanyl-3-phenoxy-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[(1S,2S,3R)-2-hydroxy-3-phenoxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[(1S,2S,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[(1S,2S,3R)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[(1S,2S,3R)-2-hydroxy-3-phenoxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@H]([C@H]3O)OC4=CC=CC=C4

InChI

InChI=1S/C21H25NO3S/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15/h2-6,11,14,17-18,21-22,24H,7-10,12H2,1H3/t14?,17-,18+,21-/m0/s1