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

Systemtic Name: ethyl 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H28ClN3O3S/c1-3-18-13-19(22(28)29-4-2)21(30-18)24-20(27)15-26-10-8-25(9-11-26)14-16-6-5-7-17(23)12-16/h5-7,12-13H,3-4,8-11,14-15H2,1-2H3,(H,24,27)