(3S)-1-[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-[2-(4-isopropylphenyl)thiazol-4-yl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-[2-(4-propan-2-ylphenyl)-4-thiazolyl]ethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-p-cumenylthiazol-4-yl)acetyl]nipecotate Formula: C20H23N2O3S- MolecularWeight: 371.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C20H24N2O3S/c1-13(2)14-5-7-15(8-6-14)19-21-17(12-26-19)10-18(23)22-9-3-4-16(11-22)20(24)25/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1