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

Systemtic Name: methyl 2-[[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-26-21(25)18-15-27-19(22-18)14-23(17-10-6-3-7-11-17)20(24)13-12-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3/b13-12+