methyl 3-phenyl-2-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-[1-oxo-2-(2-quinoxalinylthio)ethoxy]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-[2-(quinoxalin-2-ylthio)acetyl]oxyacetyl]amino]propionic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C22H21N3O5S/c1-29-22(28)18(11-15-7-3-2-4-8-15)24-19(26)13-30-21(27)14-31-20-12-23-16-9-5-6-10-17(16)25-20/h2-10,12,18H,11,13-14H2,1H3,(H,24,26)