methyl 4-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N2O6S/c1-26-19(25)14-8-6-13(7-9-14)10-21-17(23)11-27-18(24)12-29-20-22-15-4-2-3-5-16(15)28-20/h2-9H,10-12H2,1H3,(H,21,23)