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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H28ClN3O3S/c1-4-25-10-12-26(13-11-25)14-18(27)24-21-20(22(28)29-5-2)19(15(3)30-21)16-6-8-17(23)9-7-16/h6-9H,4-5,10-14H2,1-3H3,(H,24,27)