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

Systemtic Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-nitrophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-4-26-16(22)14-10-27-15(19-14)9-20(11(2)3)17(23)18-12-5-7-13(8-6-12)21(24)25/h5-8,10-11H,4,9H2,1-3H3,(H,18,23)