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

Systemtic Name: 2-methyl-5-[[[3-(4-methylsulfanylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[2-hydroxy-3-(4-methylsulfanylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[2-hydroxy-3-[4-(methylthio)phenoxy]cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[2-hydroxy-3-(4-methylsulfanylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[2-hydroxy-3-[4-(methylthio)phenoxy]cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S2/c1-13-11-17-20(28-13)10-3-14(21(17)24)12-23-18-8-9-19(22(18)25)26-15-4-6-16(27-2)7-5-15/h4-7,11,14,18-19,22-23,25H,3,8-10,12H2,1-2H3