diethyl 3-methyl-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-benzylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-4-31-23(29)20-17(3)21(24(30)32-5-2)33-22(20)25-19(28)16-27-13-11-26(12-14-27)15-18-9-7-6-8-10-18/h6-10H,4-5,11-16H2,1-3H3,(H,25,28)