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

Systemtic Name: (2S)-2-(4-nitrophenyl)-3-(2-oxidanylidene-3H-1,3-thiazol-5-yl)propanoic acid Openeye Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-thiazol-5-yl)propanoic acid CAS Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-thiazol-5-yl)propanoic acid IUPAC Name: (2S)-2-(4-nitrophenyl)-3-(2-oxo-3H-1,3-thiazol-5-yl)propanoic acid Traditional Name: (2S)-3-(2-keto-4-thiazolin-5-yl)-2-(4-nitrophenyl)propionic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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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)/t10-/m0/s1