2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-16-15-28-21(26)23(16)13-14-27-20(25)18-9-11-22(12-10-18)19(24)8-7-17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3/b8-7+