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

Systemtic Name: ethyl 2-[[cyclohexyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-29-21(26)17-13-30-19(22-17)12-23(16-7-5-4-6-8-16)20(25)15-10-9-14(2)18(11-15)24(27)28/h9-11,13,16H,3-8,12H2,1-2H3