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

Systemtic Name: methyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-cyclohexyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-chloro-3-nitro-benzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-3-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c1-28-19(25)15-11-29-17(21-15)10-22(13-5-3-2-4-6-13)18(24)12-7-8-14(20)16(9-12)23(26)27/h7-9,11,13H,2-6,10H2,1H3