[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-15(22-19(26)16-6-3-2-4-7-16)21(28)29-14-18(25)23-9-11-24(12-10-23)20(27)17-8-5-13-30-17/h2-8,13,15H,9-12,14H2,1H3,(H,22,26)/t15-/m0/s1