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

Systemtic Name: 5-[[[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25NO5S/c1-12-8-15-20(29-12)7-2-13(21(15)24)10-23-16-4-6-18(22(16)25)28-14-3-5-17-19(9-14)27-11-26-17/h3,5,8-9,13,16,18,22-23,25H,2,4,6-7,10-11H2,1H3