3-[2-(2-chloranyl-3-morpholin-4-yl-phenyl)pyridin-4-yl]-5,5-dimethyl-2-morpholin-4-yl-4-oxidanyl-4,6-dihydro-1-benzothiophen-7-one

Systemtic Name: 3-[2-(2-chloranyl-3-morpholin-4-yl-phenyl)pyridin-4-yl]-5,5-dimethyl-2-morpholin-4-yl-4-oxidanyl-4,6-dihydro-1-benzothiophen-7-one Openeye Name: 3-[2-(2-chloro-3-morpholino-phenyl)-4-pyridyl]-4-hydroxy-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one CAS Name: 3-[2-[2-chloro-3-(4-morpholinyl)phenyl]-4-pyridinyl]-4-hydroxy-5,5-dimethyl-2-(4-morpholinyl)-4,6-dihydro-1-benzothiophen-7-one IUPAC Name: 3-[2-(2-chloro-3-morpholin-4-ylphenyl)pyridin-4-yl]-4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one Traditional Name: 3-[2-(2-chloro-3-morpholino-phenyl)-4-pyridyl]-4-hydroxy-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one Formula: C29H32ClN3O4S MolecularWeight: 554.10008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1O)C(=C(S2)N3CCOCC3)C4=CC(=NC=C4)C5=C(C(=CC=C5)N6CCOCC6)Cl)C

Isomeric SMILES

CC1(CC(=O)C2=C(C1O)C(=C(S2)N3CCOCC3)C4=CC(=NC=C4)C5=C(C(=CC=C5)N6CCOCC6)Cl)C

InChI

InChI=1S/C29H32ClN3O4S/c1-29(2)17-22(34)26-24(27(29)35)23(28(38-26)33-10-14-37-15-11-33)18-6-7-31-20(16-18)19-4-3-5-21(25(19)30)32-8-12-36-13-9-32/h3-7,16,27,35H,8-15,17H2,1-2H3