2-[(4R)-3-(carboxymethyl)-6-[2-chloranyl-4-fluoranyl-5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-2-oxidanylidene-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]ethanoic acid

Systemtic Name: 2-[(4R)-3-(carboxymethyl)-6-[2-chloranyl-4-fluoranyl-5-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-2-oxidanylidene-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]ethanoic acid Openeye Name: 2-[(4R)-3-(carboxymethyl)-6-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-2-oxo-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]acetic acid CAS Name: 2-[(4R)-3-(carboxymethyl)-6-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]phenyl]-2-oxo-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]acetic acid IUPAC Name: 2-[(4R)-3-(carboxymethyl)-6-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-2-oxo-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]acetic acid Traditional Name: 2-[(4R)-3-(carboxymethyl)-6-[2-chloro-5-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluoro-phenyl]-2-keto-5-thia-3,6-diazabicyclo[2.1.1]hexan-4-yl]acetic acid Formula: C19H13ClF4N4O7S MolecularWeight: 552.840733

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)N3C4C(=O)N(C3(S4)CC(=O)O)CC(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)N3C4C(=O)N([C@]3(S4)CC(=O)O)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C19H13ClF4N4O7S/c1-25-11(19(22,23)24)4-12(29)27(17(25)35)10-3-9(7(20)2-8(10)21)28-16-15(34)26(6-14(32)33)18(28,36-16)5-13(30)31/h2-4,16H,5-6H2,1H3,(H,30,31)(H,32,33)/t16?,18-/m1/s1