ethyl 2-[[(2S)-2-(4-ethanoylpiperazin-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-ethanoylpiperazin-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-acetylpiperazin-1-yl)propanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(4-acetyl-1-piperazinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-acetylpiperazin-1-yl)propanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-acetylpiperazino)propanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H](C)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-4-29-22(28)19-18(17-8-6-5-7-9-17)14-30-21(19)23-20(27)15(2)24-10-12-25(13-11-24)16(3)26/h5-9,14-15H,4,10-13H2,1-3H3,(H,23,27)/t15-/m0/s1