(4-bromanyl-2-fluoranyl-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H16BrFO2S MolecularWeight: 383.275143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H16BrFO2S/c1-10-2-5-15-12(6-10)7-16(22-15)17(20)21-9-11-3-4-13(18)8-14(11)19/h3-4,7-8,10H,2,5-6,9H2,1H3/t10-/m0/s1