1-[(2-bromanylthiophen-3-yl)methyl]-3,3,4,4-tetramethyl-5-oxidanyl-5-(2-phenylethynyl)pyrrolidin-2-one

Systemtic Name: 1-[(2-bromanylthiophen-3-yl)methyl]-3,3,4,4-tetramethyl-5-oxidanyl-5-(2-phenylethynyl)pyrrolidin-2-one Openeye Name: 1-[(2-bromo-3-thienyl)methyl]-5-hydroxy-3,3,4,4-tetramethyl-5-(2-phenylethynyl)pyrrolidin-2-one CAS Name: 1-[(2-bromo-3-thiophenyl)methyl]-5-hydroxy-3,3,4,4-tetramethyl-5-(2-phenylethynyl)-2-pyrrolidinone IUPAC Name: 1-[(2-bromothiophen-3-yl)methyl]-5-hydroxy-3,3,4,4-tetramethyl-5-(2-phenylethynyl)pyrrolidin-2-one Traditional Name: 1-[(2-bromo-3-thienyl)methyl]-5-hydroxy-3,3,4,4-tetramethyl-5-(2-phenylethynyl)-2-pyrrolidone Formula: C21H22BrNO2S MolecularWeight: 432.37388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(C1(C)C)(C#CC2=CC=CC=C2)O)CC3=C(SC=C3)Br)C

Isomeric SMILES

CC1(C(=O)N(C(C1(C)C)(C#CC2=CC=CC=C2)O)CC3=C(SC=C3)Br)C

InChI

InChI=1S/C21H22BrNO2S/c1-19(2)18(24)23(14-16-11-13-26-17(16)22)21(25,20(19,3)4)12-10-15-8-6-5-7-9-15/h5-9,11,13,25H,14H2,1-4H3