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

Systemtic Name: methyl 2-[[3-methylbutyl-(4-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopentyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methylbutyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-(4-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(2)8-9-20(10-16-19-15(11-27-16)18(23)26-3)17(22)13-4-6-14(7-5-13)21(24)25/h4-7,11-12H,8-10H2,1-3H3