ethyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-2-phenyl-acetyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2-chloro-1-oxo-2-phenylethyl)-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-2-phenylacetyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-2-phenyl-acetyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C(C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-2-27-21(26)17-14-28-18(23-17)13-24(16-11-7-4-8-12-16)20(25)19(22)15-9-5-3-6-10-15/h3,5-6,9-10,14,16,19H,2,4,7-8,11-13H2,1H3