methyl 5-[[4-[2-(thiophen-2-ylcarbonylamino)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(thiophen-2-ylcarbonylamino)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(thiophene-2-carbonylamino)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(thiophene-2-carbonylamino)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(2-thenoylamino)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O5S/c1-26-19(25)15-6-5-14(27-15)13-21-7-3-8-22(10-9-21)17(23)12-20-18(24)16-4-2-11-28-16/h2,4-6,11H,3,7-10,12-13H2,1H3,(H,20,24)