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

Systemtic Name: 5-[[[3-(2-methylphenoxy)-2-oxidanyl-cyclopentyl]amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one Openeye Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-phenyl-6,7-dihydro-5H-benzothiophen-4-one CAS Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one IUPAC Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-phenyl-6,7-dihydro-5H-1-benzothiophen-4-one Traditional Name: 5-[[[2-hydroxy-3-(2-methylphenoxy)cyclopentyl]amino]methyl]-2-phenyl-6,7-dihydro-5H-benzothiophen-4-one Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1OC2CCC(C2O)NCC3CCC4=C(C3=O)C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO3S/c1-17-7-5-6-10-22(17)31-23-13-12-21(27(23)30)28-16-19-11-14-24-20(26(19)29)15-25(32-24)18-8-3-2-4-9-18/h2-10,15,19,21,23,27-28,30H,11-14,16H2,1H3