2-(5-ethanoyl-7-fluoranyl-4-phenylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoate

Systemtic Name: 2-(5-ethanoyl-7-fluoranyl-4-phenylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoate Openeye Name: 2-(5-acetyl-7-fluoro-4-phenylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate CAS Name: 2-[5-acetyl-7-fluoro-4-(phenylthio)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate IUPAC Name: 2-(5-acetyl-7-fluoro-4-phenylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetate Traditional Name: 2-[5-acetyl-7-fluoro-4-(phenylthio)-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]acetate Formula: C21H17FNO3S- MolecularWeight: 382.427983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC2=C1C(=C3N2CCC3CC(=O)[O-])SC4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC2=C1C(=C3N2CCC3CC(=O)[O-])SC4=CC=CC=C4)F

InChI

InChI=1S/C21H18FNO3S/c1-12(24)16-10-14(22)11-17-19(16)21(27-15-5-3-2-4-6-15)20-13(9-18(25)26)7-8-23(17)20/h2-6,10-11,13H,7-9H2,1H3,(H,25,26)/p-1