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

Systemtic Name: ethyl 2-[[2-(4-chloranylphenoxy)ethanoyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[2-(4-chlorophenoxy)-1-oxoethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[2-(4-chlorophenoxy)acetyl]-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-2-27-21(26)18-14-29-19(23-18)12-24(16-6-4-3-5-7-16)20(25)13-28-17-10-8-15(22)9-11-17/h8-11,14,16H,2-7,12-13H2,1H3