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

Systemtic Name: 5-[[[3-(4-methoxyphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[2-hydroxy-3-(4-methoxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[2-hydroxy-3-(4-methoxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[2-hydroxy-3-(4-methoxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[2-hydroxy-3-(4-methoxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C22H28ClNO4S MolecularWeight: 437.98002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S.ClH/c1-13-11-17-20(28-13)10-3-14(21(17)24)12-23-18-8-9-19(22(18)25)27-16-6-4-15(26-2)5-7-16;/h4-7,11,14,18-19,22-23,25H,3,8-10,12H2,1-2H3;1H