3-[1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperidin-4-ylidene]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 3-[1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperidin-4-ylidene]-1-morpholin-4-yl-butan-1-one Openeye Name: 3-[1-[2-[2-[2-(3-azabicyclo[2.2.1]heptan-7-yl)-1,1-dimethyl-2-oxo-ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-4-piperidylidene]-1-morpholino-butan-1-one CAS Name: 3-[1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-4-piperidinylidene]-1-(4-morpholinyl)-1-butanone IUPAC Name: 3-[1-[2-[2-[1-(3-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperidin-4-ylidene]-1-morpholin-4-ylbutan-1-one Traditional Name: 3-[1-[2-[2-[2-(3-azabicyclo[2.2.1]heptan-7-yl)-2-keto-1,1-dimethyl-ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]-4-piperidylidene]-1-morpholino-butan-1-one Formula: C39H52N4O3S MolecularWeight: 656.92018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)SC(=C3)C(C)(C)C(=O)C4C5CCC4NC5)CCN6CCC(=C(C)CC(=O)N7CCOCC7)CC6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)SC(=C3)C(C)(C)C(=O)C4C5CCC4NC5)CCN6CCC(=C(C)CC(=O)N7CCOCC7)CC6)C

InChI

InChI=1S/C39H52N4O3S/c1-24-18-25(2)20-29(19-24)36-30(10-13-42-11-8-27(9-12-42)26(3)21-34(44)43-14-16-46-17-15-43)31-22-33(47-38(31)41-36)39(4,5)37(45)35-28-6-7-32(35)40-23-28/h18-20,22,28,32,35,40-41H,6-17,21,23H2,1-5H3