methyl 4-[2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2-thenoylamino)acetyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17N3O5S/c1-25-17(24)11-4-6-12(7-5-11)20-15(22)10-18-14(21)9-19-16(23)13-3-2-8-26-13/h2-8H,9-10H2,1H3,(H,18,21)(H,19,23)(H,20,22)