(4-bromophenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (4-bromophenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (4-bromophenyl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (4-bromobenzyl) ester Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O2S/c18-13-7-5-12(6-8-13)10-22-17(21)11-23-16-9-19-14-3-1-2-4-15(14)20-16/h1-9H,10-11H2