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

Systemtic Name: ethyl 5-ethyl-2-[2-(4-phenethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-phenethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(4-phenethyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-phenethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-phenethylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O3S/c1-3-19-16-20(23(28)29-4-2)22(30-19)24-21(27)17-26-14-12-25(13-15-26)11-10-18-8-6-5-7-9-18/h5-9,16H,3-4,10-15,17H2,1-2H3,(H,24,27)