dimethyl 5-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C21H18N2O8S/c1-28-19(26)12-7-13(20(27)29-2)9-14(8-12)22-17(24)10-30-18(25)11-32-21-23-15-5-3-4-6-16(15)31-21/h3-9H,10-11H2,1-2H3,(H,22,24)