3-[[5,5-bis(hydroxymethyl)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 3-[[5,5-bis(hydroxymethyl)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 3-[[5,5-bis(hydroxymethyl)-4-oxo-thiazol-2-yl]amino]benzoate CAS Name: 3-[[5,5-bis(hydroxymethyl)-4-oxo-2-thiazolyl]amino]benzoate IUPAC Name: 3-[[5,5-bis(hydroxymethyl)-4-oxo-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 3-[(4-keto-5,5-dimethylol-2-thiazolin-2-yl)amino]benzoate Formula: C12H11N2O5S- MolecularWeight: 295.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C(S2)(CO)CO)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)C(S2)(CO)CO)C(=O)[O-]

InChI

InChI=1S/C12H12N2O5S/c15-5-12(6-16)10(19)14-11(20-12)13-8-3-1-2-7(4-8)9(17)18/h1-4,15-16H,5-6H2,(H,17,18)(H,13,14,19)/p-1