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

Systemtic Name: 5-[[[3-(2-tert-butylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[3-(2-tert-butylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[3-(2-tert-butylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[3-(2-tert-butylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[3-(2-tert-butylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C25H34ClNO3S MolecularWeight: 464.06036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC=C4C(C)(C)C.Cl

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC=C4C(C)(C)C.Cl

InChI

InChI=1S/C25H33NO3S.ClH/c1-15-13-17-22(30-15)12-9-16(23(17)27)14-26-19-10-11-21(24(19)28)29-20-8-6-5-7-18(20)25(2,3)4;/h5-8,13,16,19,21,24,26,28H,9-12,14H2,1-4H3;1H