[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2)C3=CC=CS3

InChI

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