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

Systemtic Name: methyl 2-[[[(E)-3-phenylprop-2-enoyl]-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[[(E)-3-phenylprop-2-enoyl]-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[(E)-3-phenylprop-2-enoyl]-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[(E)-3-phenylacryloyl]-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3S/c1-3-11-20(12-16-19-15(13-24-16)18(22)23-2)17(21)10-9-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3/b10-9+