diethyl 5-[2-(4-butylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-butylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-butylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-butyl-1-piperazinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-butylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-butylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C21H33N3O5S/c1-5-8-9-23-10-12-24(13-11-23)14-16(25)22-19-17(20(26)28-6-2)15(4)18(30-19)21(27)29-7-3/h5-14H2,1-4H3,(H,22,25)