ethyl 2-[2-(4-ethanoylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-3-28-21(27)19-17(16-7-5-4-6-8-16)14-29-20(19)22-18(26)13-23-9-11-24(12-10-23)15(2)25/h4-8,14H,3,9-13H2,1-2H3,(H,22,26)