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

Systemtic Name: (3-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (3-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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