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

Systemtic Name: methyl 2-[[3-methylbutyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-(4-methyl-3-nitro-benzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-12(2)7-8-21(10-17-20-15(11-28-17)19(24)27-4)18(23)14-6-5-13(3)16(9-14)22(25)26/h5-6,9,11-12H,7-8,10H2,1-4H3