S-[(4S,5S)-2-(4-bromophenyl)-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl] ethanethioate

Systemtic Name: S-[(4S,5S)-2-(4-bromophenyl)-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl] ethanethioate Openeye Name: S-[(4S,5S)-2-(4-bromophenyl)-5-vinyl-4,5-dihydrooxazol-4-yl] ethanethioate CAS Name: ethanethioic acid S-[(4S,5S)-2-(4-bromophenyl)-5-ethenyl-4,5-dihydrooxazol-4-yl] ester IUPAC Name: S-[(4S,5S)-2-(4-bromophenyl)-5-ethenyl-4,5-dihydro-1,3-oxazol-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(4S,5S)-2-(4-bromophenyl)-5-vinyl-2-oxazolin-4-yl] ester Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(OC(=N1)C2=CC=C(C=C2)Br)C=C

Isomeric SMILES

CC(=O)S[C@H]1[C@@H](OC(=N1)C2=CC=C(C=C2)Br)C=C

InChI

InChI=1S/C13H12BrNO2S/c1-3-11-13(18-8(2)16)15-12(17-11)9-4-6-10(14)7-5-9/h3-7,11,13H,1H2,2H3/t11-,13-/m0/s1