6-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-4-oxidanyl-1,3-benzothiazole-2-carboxylic acid

Systemtic Name: 6-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-4-oxidanyl-1,3-benzothiazole-2-carboxylic acid Openeye Name: 6-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-4-hydroxy-1,3-benzothiazole-2-carboxylic acid CAS Name: 6-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-4-hydroxy-1,3-benzothiazole-2-carboxylic acid IUPAC Name: 6-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-4-hydroxy-1,3-benzothiazole-2-carboxylic acid Traditional Name: 6-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-4-hydroxy-1,3-benzothiazole-2-carboxylic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1O)N=C(S2)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C2C(=C1O)N=C(S2)C(=O)O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H10N2O5S/c12-5(10(15)16)1-4-2-6(14)8-7(3-4)19-9(13-8)11(17)18/h2-3,5,14H,1,12H2,(H,15,16)(H,17,18)/t5-/m0/s1