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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-nitroanilino)-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-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6S/c26-20(23-16-8-10-17(11-9-16)25(29)30)14-31-22(28)18(13-15-5-2-1-3-6-15)24-21(27)19-7-4-12-32-19/h1-12,18H,13-14H2,(H,23,26)(H,24,27)/t18-/m0/s1