ethyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-o-phenetylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OCC

InChI

InChI=1S/C23H31N3O4S/c1-4-17-15-18(23(28)30-6-3)22(31-17)24-21(27)16-25-11-13-26(14-12-25)19-9-7-8-10-20(19)29-5-2/h7-10,15H,4-6,11-14,16H2,1-3H3,(H,24,27)