S-[2-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ethanethioate

Systemtic Name: S-[2-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ethanethioate Openeye Name: S-[2-(4-bromo-2-fluoro-phenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ethanethioate CAS Name: ethanethioic acid S-[2-(4-bromo-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester IUPAC Name: S-[2-(4-bromo-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(4-bromo-2-fluoro-phenyl)-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester Formula: C16H15BrFNO2S MolecularWeight: 384.263203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(=O)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H15BrFNO2S/c1-9(20)22-16-12-5-3-2-4-11(12)15(21)19(16)14-7-6-10(17)8-13(14)18/h6-8,16H,2-5H2,1H3