2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[(2S,7aS)-2,7a-dihydro-1,3-benzoxazol-2-yl]thio]-1-(4-bromophenyl)ethanone Formula: C15H12BrNO2S MolecularWeight: 350.23028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(O2)SCC(=O)C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

C1=C[C@H]2C(=N[C@@H](O2)SCC(=O)C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C15H12BrNO2S/c16-11-7-5-10(6-8-11)13(18)9-20-15-17-12-3-1-2-4-14(12)19-15/h1-8,14-15H,9H2/t14-,15-/m0/s1