(2R,4R)-2-(4-oxidanylidenechromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(4-oxidanylidenechromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(4-oxochromen-3-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(4-oxo-1-benzopyran-3-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(4-ketochromen-3-yl)thiazolidin-3-ium-4-carboxylate Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=COC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](S1)C2=COC3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C13H11NO4S/c15-11-7-3-1-2-4-10(7)18-5-8(11)12-14-9(6-19-12)13(16)17/h1-5,9,12,14H,6H2,(H,16,17)/t9-,12+/m0/s1