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

Systemtic Name: 2-methyl-5-[[[3-(2-methyl-3-nitro-phenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Openeye Name: 5-[[[2-hydroxy-3-(2-methyl-3-nitro-phenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride CAS Name: 5-[[[2-hydroxy-3-(2-methyl-3-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride IUPAC Name: 5-[[[2-hydroxy-3-(2-methyl-3-nitrophenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one hydrochloride Traditional Name: 5-[[[2-hydroxy-3-(2-methyl-3-nitro-phenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one hydrochloride Formula: C22H27ClN2O5S MolecularWeight: 466.97818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC(=C4C)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC(=C4C)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H26N2O5S.ClH/c1-12-10-15-20(30-12)9-6-14(21(15)25)11-23-16-7-8-19(22(16)26)29-18-5-3-4-17(13(18)2)24(27)28;/h3-5,10,14,16,19,22-23,26H,6-9,11H2,1-2H3;1H