[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-17(26)23-19(20-8-5-13-30-20)14-22(28)29-16-21(27)25-11-9-24(10-12-25)15-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-16H2,1H3,(H,23,26)