ethyl 3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(2-thenyl)piperazino]methyl]coumarilic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N2O3S/c1-2-25-21(24)20-18(17-7-3-4-8-19(17)26-20)15-23-11-9-22(10-12-23)14-16-6-5-13-27-16/h3-8,13H,2,9-12,14-15H2,1H3