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

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-(4-ethanoylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(4-acetyl-1-piperazinyl)-1-oxoethyl]amino]-5-(4-chlorophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(4-acetylpiperazino)acetyl]amino]-5-(4-chlorophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24ClN3O4S/c1-3-29-21(28)20-17(12-18(30-20)15-4-6-16(22)7-5-15)23-19(27)13-24-8-10-25(11-9-24)14(2)26/h4-7,12H,3,8-11,13H2,1-2H3,(H,23,27)