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

Systemtic Name: ethyl 2-[[(3-nitrophenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-nitrobenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-4-25-17(22)14-10-26-15(18-14)9-19(11(2)3)16(21)12-6-5-7-13(8-12)20(23)24/h5-8,10-11H,4,9H2,1-3H3