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

Systemtic Name: ethyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(2-chloro-4-nitro-benzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-2-29-20(26)17-12-30-18(22-17)11-23(13-6-4-3-5-7-13)19(25)15-9-8-14(24(27)28)10-16(15)21/h8-10,12-13H,2-7,11H2,1H3