methyl 4-ethyl-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-ethyl-2-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C16H17N3O6S/c1-4-11-14(15(21)24-3)26-16(17-11)18-13(20)8-25-10-5-6-12(19(22)23)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,17,18,20)