6,6-dimethyl-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-mesyl-6,6-dimethyl-1-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-5,7-dihydroisobenzothiophen-4-one Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=C4CC(CC(=O)C4=C(S3)S(=O)(=O)C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=C4CC(CC(=O)C4=C(S3)S(=O)(=O)C)(C)C

InChI

InChI=1S/C22H21NO5S2/c1-12-16(18(23-28-12)13-8-6-5-7-9-13)19(25)20-14-10-22(2,3)11-15(24)17(14)21(29-20)30(4,26)27/h5-9H,10-11H2,1-4H3