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

Systemtic Name: methyl 5-[[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O4S/c1-23-18(22)16-6-5-14(24-16)13-19-7-3-8-20(10-9-19)17(21)12-15-4-2-11-25-15/h2,4-6,11H,3,7-10,12-13H2,1H3