5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-bis(fluoranyl)-3-oxidanyl-butyl]-2-oxidanylidene-1,3-oxazinan-3-yl]propyl]-3-fluoranyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-bis(fluoranyl)-3-oxidanyl-butyl]-2-oxidanylidene-1,3-oxazinan-3-yl]propyl]-3-fluoranyl-thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-difluoro-3-hydroxy-butyl]-2-oxo-1,3-oxazinan-3-yl]propyl]-3-fluoro-thiophene-2-carboxylic acid CAS Name: 5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-difluoro-3-hydroxybutyl]-2-oxo-1,3-oxazinan-3-yl]propyl]-3-fluoro-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-difluoro-3-hydroxybutyl]-2-oxo-1,3-oxazinan-3-yl]propyl]-3-fluorothiophene-2-carboxylic acid Traditional Name: 5-[3-[(4S)-4-[(3R)-4-(3-bromophenyl)-4,4-difluoro-3-hydroxy-butyl]-2-keto-1,3-oxazinan-3-yl]propyl]-3-fluoro-2-thenoic acid Formula: C22H23BrF3NO5S MolecularWeight: 550.38593

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)N(C1CCC(C(C2=CC(=CC=C2)Br)(F)F)O)CCCC3=CC(=C(S3)C(=O)O)F

Isomeric SMILES

C1COC(=O)N([C@H]1CC[C@H](C(C2=CC(=CC=C2)Br)(F)F)O)CCCC3=CC(=C(S3)C(=O)O)F

InChI

InChI=1S/C22H23BrF3NO5S/c23-14-4-1-3-13(11-14)22(25,26)18(28)7-6-15-8-10-32-21(31)27(15)9-2-5-16-12-17(24)19(33-16)20(29)30/h1,3-4,11-12,15,18,28H,2,5-10H2,(H,29,30)/t15-,18+/m0/s1