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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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