(3-bromanyl-4-methoxy-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-bromo-4-methoxy-benzyl) ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C17H14BrNO4S/c1-21-14-7-6-11(8-12(14)18)9-22-16(20)10-24-17-19-13-4-2-3-5-15(13)23-17/h2-8H,9-10H2,1H3