5-[(1S)-1-(2-bromophenyl)sulfanylethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-(2-bromophenyl)sulfanylethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(2-bromophenyl)sulfanylethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[(2-bromophenyl)thio]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(2-bromophenyl)sulfanylethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[(2-bromophenyl)thio]ethyl]-2-furoate Formula: C13H10BrO3S- MolecularWeight: 326.1857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])SC2=CC=CC=C2Br

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])SC2=CC=CC=C2Br

InChI

InChI=1S/C13H11BrO3S/c1-8(10-6-7-11(17-10)13(15)16)18-12-5-3-2-4-9(12)14/h2-8H,1H3,(H,15,16)/p-1/t8-/m0/s1