[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C22H18FN3O6S MolecularWeight: 471.458223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H18FN3O6S/c23-15-8-9-16(18(12-15)26(30)31)24-20(27)13-32-22(29)17(11-14-5-2-1-3-6-14)25-21(28)19-7-4-10-33-19/h1-10,12,17H,11,13H2,(H,24,27)(H,25,28)/t17-/m0/s1