4-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}-2,2-difluoro-12-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

CAS: 150173-73-2

Formula: C20H16BF2N3O4S

SMILES: F[B-]1(F)N2C(CCC(=O)ON3C(=O)CCC3=O)=CC=C2C=C2C=CC(C3=CC=CS3)=[N+]12

IUPAC: 4-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}-2,2-difluoro-12-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C20H16BF2N3O4S/c22-21(23)24-13(6-10-20(29)30-26-18(27)8-9-19(26)28)3-4-14(24)12-15-5-7-16(25(15)21)17-2-1-11-31-17/h1-5,7,11-12H,6,8-10H2

Composition: C (54.20%), H (3.64%), B (2.44%), F (8.57%), N (9.48%), O (14.44%), S (7.23%)

Molar Mass: 443.23

Atom Count: 47

Heavy Atom Count: 31