butyl 4-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-2-(2-quinoxalinylthio)ethoxy]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(quinoxalin-2-ylthio)acetyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C23H23N3O5S/c1-2-3-12-30-23(29)16-8-10-17(11-9-16)25-20(27)14-31-22(28)15-32-21-13-24-18-6-4-5-7-19(18)26-21/h4-11,13H,2-3,12,14-15H2,1H3,(H,25,27)