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

Systemtic Name: 5-[[[3-(2-ethylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[3-(2-ethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[3-(2-ethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[3-(2-ethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[3-(2-ethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C23H30ClNO3S MolecularWeight: 436.0072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C.Cl

Isomeric SMILES

CCC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C.Cl

InChI

InChI=1S/C23H29NO3S.ClH/c1-3-15-6-4-5-7-19(15)27-20-10-9-18(23(20)26)24-13-16-8-11-21-17(22(16)25)12-14(2)28-21;/h4-7,12,16,18,20,23-24,26H,3,8-11,13H2,1-2H3;1H