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

Systemtic Name: methyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-26-20(25)16-13-27-17(22-16)12-23(15-10-6-3-7-11-15)19(24)18(21)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12H2,1H3