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

Systemtic Name: 2-methyl-5-[[[3-(2-methylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C.Cl

Isomeric SMILES

CC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C.Cl

InChI

InChI=1S/C22H27NO3S.ClH/c1-13-5-3-4-6-18(13)26-19-9-8-17(22(19)25)23-12-15-7-10-20-16(21(15)24)11-14(2)27-20;/h3-6,11,15,17,19,22-23,25H,7-10,12H2,1-2H3;1H