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

Systemtic Name: ethyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-chloro-3-nitro-benzoyl)-isopentyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-chloro-3-nitrobenzoyl)-(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-isoamyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S/c1-4-28-19(25)15-11-29-17(21-15)10-22(8-7-12(2)3)18(24)13-5-6-14(20)16(9-13)23(26)27/h5-6,9,11-12H,4,7-8,10H2,1-3H3