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

Systemtic Name: ethyl 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorophenyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-3-17-13-18(21(27)28-4-2)20(29-17)23-19(26)14-24-8-10-25(11-9-24)16-7-5-6-15(22)12-16/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,23,26)