ethyl 2-[[tert-butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[tert-butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[tert-butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[tert-butyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[tert-butyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[tert-butyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(=O)C=CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(=O)/C=C/C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H24N2O3S/c1-5-25-19(24)16-14-26-17(21-16)13-22(20(2,3)4)18(23)12-11-15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3/b12-11+