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

Systemtic Name: ethyl 2-[[3-methylbutyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopentyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methylbutyl-[(4-nitroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methylbutyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isoamyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCC(C)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-4-28-18(24)16-12-29-17(21-16)11-22(10-9-13(2)3)19(25)20-14-5-7-15(8-6-14)23(26)27/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,25)