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

Systemtic Name: 5-[[[3-(3,5-dimethylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[3-(3,5-dimethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[3-(3,5-dimethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[3-(3,5-dimethylphenoxy)-2-hydroxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[3-(3,5-dimethylphenoxy)-2-hydroxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C23H29NO3S MolecularWeight: 399.54626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C)C

InChI

InChI=1S/C23H29NO3S/c1-13-8-14(2)10-17(9-13)27-20-6-5-19(23(20)26)24-12-16-4-7-21-18(22(16)25)11-15(3)28-21/h8-11,16,19-20,23-24,26H,4-7,12H2,1-3H3