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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-14-17(20(26)28-2)19(30-18(14)21(27)29-3)22-16(25)13-23-9-11-24(12-10-23)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H,22,25)