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

Systemtic Name: ethyl 2-[[(3-bromophenyl)carbonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-bromobenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-bromophenyl)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-bromobenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-bromobenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-2-26-20(25)17-13-27-18(22-17)12-23(16-9-4-3-5-10-16)19(24)14-7-6-8-15(21)11-14/h6-8,11,13,16H,2-5,9-10,12H2,1H3