ethyl 2-[[(3,5-dinitrophenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3,5-dinitrophenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,5-dinitrobenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3,5-dinitrobenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7S/c1-4-28-17(23)14-9-29-15(18-14)8-19(10(2)3)16(22)11-5-12(20(24)25)7-13(6-11)21(26)27/h5-7,9-10H,4,8H2,1-3H3