(3a-butylsulfanyl-4-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3a-butylsulfanyl-4-oxidanylidene-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) tris(fluoranyl)methanesulfonate Openeye Name: (3a-butylsulfanyl-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3a-(butylthio)-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl] ester IUPAC Name: (3a-butylsulfanyl-4-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3a-(butylthio)-4-keto-2,3-dihydro-1H-pyrrol[1,2-a]indol-5-yl] ester Formula: C16H18F3NO4S2 MolecularWeight: 409.44363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC12CCCN1C3=C(C2=O)C(=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCSC12CCCN1C3=C(C2=O)C(=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H18F3NO4S2/c1-2-3-10-25-15-8-5-9-20(15)11-6-4-7-12(13(11)14(15)21)24-26(22,23)16(17,18)19/h4,6-7H,2-3,5,8-10H2,1H3