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

Systemtic Name: methyl 2-[[cyclohexyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OC)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-13-8-9-14(10-17(13)23(26)27)19(24)22(15-6-4-3-5-7-15)11-18-21-16(12-29-18)20(25)28-2/h8-10,12,15H,3-7,11H2,1-2H3