ethyl 2-[[cyclohexyl-(3,5-dinitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclohexyl-(3,5-dinitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclohexyl-(3,5-dinitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclohexyl-[(3,5-dinitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclohexyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclohexyl-(3,5-dinitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7S/c1-2-31-20(26)17-12-32-18(21-17)11-22(14-6-4-3-5-7-14)19(25)13-8-15(23(27)28)10-16(9-13)24(29)30/h8-10,12,14H,2-7,11H2,1H3