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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCOC)CC2=NC(=CS2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCOC)CC2=NC(=CS2)C(=O)OC)[N+](=O)[O-]

InChI

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