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

Systemtic Name: 2-methyl-5-[[[2-oxidanyl-3-(3-oxidanylphenoxy)cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[2-hydroxy-3-(3-hydroxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[2-hydroxy-3-(3-hydroxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[2-hydroxy-3-(3-hydroxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[2-hydroxy-3-(3-hydroxyphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C21H26ClNO4S MolecularWeight: 423.95344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S.ClH/c1-12-9-16-19(27-12)8-5-13(20(16)24)11-22-17-6-7-18(21(17)25)26-15-4-2-3-14(23)10-15;/h2-4,9-10,13,17-18,21-23,25H,5-8,11H2,1H3;1H