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

Systemtic Name: diethyl 3-methyl-5-[2-(4-phenylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(4-phenylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-phenyl-1-piperazinyl)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(4-phenylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(4-phenylpiperazino)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-5-31-23(29)19-16(3)20(24(30)32-6-2)33-22(19)25-21(28)17(4)26-12-14-27(15-13-26)18-10-8-7-9-11-18/h7-11,17H,5-6,12-15H2,1-4H3,(H,25,28)