(2S)-2-(4-nitrophenyl)-3-(2-oxidanylidene-3H-1,3-thiazol-5-yl)propanoate

Systemtic Name: (2S)-2-(4-nitrophenyl)-3-(2-oxidanylidene-3H-1,3-thiazol-5-yl)propanoate Openeye Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-thiazol-5-yl)propanoate CAS Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-thiazol-5-yl)propanoate IUPAC Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-1,3-thiazol-5-yl)propanoate Traditional Name: (2S)-3-(2-keto-4-thiazolin-5-yl)-2-(4-nitrophenyl)propionate Formula: C12H9N2O5S- MolecularWeight: 293.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC2=CNC(=O)S2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@H](CC2=CNC(=O)S2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O5S/c15-11(16)10(5-9-6-13-12(17)20-9)7-1-3-8(4-2-7)14(18)19/h1-4,6,10H,5H2,(H,13,17)(H,15,16)/p-1/t10-/m0/s1