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

Systemtic Name: 2-methyl-5-[[[3-(3-methylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[2-hydroxy-3-(3-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[2-hydroxy-3-(3-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[2-hydroxy-3-(3-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[2-hydroxy-3-(3-methylphenoxy)cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C22H27NO3S MolecularWeight: 385.51968

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

Isomeric SMILES

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

InChI

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