2-(5-bromanyl-7-fluoranyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)propanoate

Systemtic Name: 2-(5-bromanyl-7-fluoranyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)propanoate Openeye Name: 2-(5-bromo-7-fluoro-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)propanoate CAS Name: 2-[5-bromo-7-fluoro-4-(2-pyrimidinylthio)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate IUPAC Name: 2-(5-bromo-7-fluoro-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)propanoate Traditional Name: 2-[5-bromo-7-fluoro-4-(2-pyrimidylthio)-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]propionate Formula: C18H14BrFN3O2S- MolecularWeight: 435.290063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN2C1=C(C3=C(C=C(C=C32)F)Br)SC4=NC=CC=N4)C(=O)[O-]

Isomeric SMILES

CC(C1CCN2C1=C(C3=C(C=C(C=C32)F)Br)SC4=NC=CC=N4)C(=O)[O-]

InChI

InChI=1S/C18H15BrFN3O2S/c1-9(17(24)25)11-3-6-23-13-8-10(20)7-12(19)14(13)16(15(11)23)26-18-21-4-2-5-22-18/h2,4-5,7-9,11H,3,6H2,1H3,(H,24,25)/p-1