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

Systemtic Name: ethyl 2-[[3-methylbutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-26-21(25)18-15-27-19(22-18)14-23(13-12-16(2)3)20(24)11-10-17-8-6-5-7-9-17/h5-11,15-16H,4,12-14H2,1-3H3/b11-10+