(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(SN=N2)Cl)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(SN=N2)Cl)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O3S/c19-17-15(20-21-26-17)12-25-18(24)14-8-10-22(11-9-14)16(23)7-6-13-4-2-1-3-5-13/h1-7,14H,8-12H2/b7-6+