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

Systemtic Name: methyl 5-[[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H24N4O4S2/c1-29-21(28)18-6-5-16(30-18)14-25-9-3-10-26(12-11-25)20(27)15-32-22-23-8-7-17(24-22)19-4-2-13-31-19/h2,4-8,13H,3,9-12,14-15H2,1H3