[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)NC

InChI

InChI=1S/C16H18N4O6S/c1-8-13(15(17-3)27-19-8)16(22)26-9(2)14(21)18-11-7-10(20(23)24)5-6-12(11)25-4/h5-7,9,17H,1-4H3,(H,18,21)