(4-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (4-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-bromobenzyl) ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrNO3S/c17-12-7-5-11(6-8-12)9-20-15(19)10-22-16-18-13-3-1-2-4-14(13)21-16/h1-8H,9-10H2