phenyl 3-[2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoyloxymethyl]benzoate

Systemtic Name: phenyl 3-[2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoyloxymethyl]benzoate Openeye Name: phenyl 3-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]oxymethyl]benzoate CAS Name: 3-[[1-oxo-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]ethoxy]methyl]benzoic acid phenyl ester IUPAC Name: phenyl 3-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-[[2-(2-thenoylamino)acetyl]amino]acetyl]oxymethyl]benzoic acid phenyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)CNC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)COC(=O)CNC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C23H20N2O6S/c26-20(13-25-22(28)19-10-5-11-32-19)24-14-21(27)30-15-16-6-4-7-17(12-16)23(29)31-18-8-2-1-3-9-18/h1-12H,13-15H2,(H,24,26)(H,25,28)