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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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