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

Systemtic Name: ethyl 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methyl-phenyl)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)C3=C(C=CC(=C3)Cl)C)C(=O)OCC

Isomeric SMILES

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

InChI

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