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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-isobutyrylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-5-14-11-15(19(25)26-6-2)17(27-14)20-16(23)12-21-7-9-22(10-8-21)18(24)13(3)4/h11,13H,5-10,12H2,1-4H3,(H,20,23)