[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20FN3O6S MolecularWeight: 437.442003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H20FN3O6S/c1-10(2)16(22-18(25)15-5-4-8-30-15)19(26)29-11(3)17(24)21-12-6-7-13(20)14(9-12)23(27)28/h4-11,16H,1-3H3,(H,21,24)(H,22,25)