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

Systemtic Name: ethyl 2-[[2-methoxyethyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[2-methoxyethyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[2-methoxyethyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-3-26-17(22)14-11-27-15(18-14)10-19(7-8-25-2)16(21)12-5-4-6-13(9-12)20(23)24/h4-6,9,11H,3,7-8,10H2,1-2H3