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

Systemtic Name: 5-[[[3-(4-butylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[3-(4-butylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[3-(4-butylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[3-(4-butylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[3-(4-butylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C

InChI

InChI=1S/C25H33NO3S/c1-3-4-5-17-6-9-19(10-7-17)29-22-12-11-21(25(22)28)26-15-18-8-13-23-20(24(18)27)14-16(2)30-23/h6-7,9-10,14,18,21-22,25-26,28H,3-5,8,11-13,15H2,1-2H3