(3-bromanyl-4-methoxy-phenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrNO5S/c1-22-14-7-6-11(8-12(14)17)9-23-16(19)10-24-15-5-3-2-4-13(15)18(20)21/h2-8H,9-10H2,1H3