methyl 3-[2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(benzofuran-2-carbonyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O5S/c1-28-21(27)19-15(6-11-30-19)22-18(25)13-23-7-9-24(10-8-23)20(26)17-12-14-4-2-3-5-16(14)29-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)