5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-pyrazin-2-yl-thiophene-2-carboxylic acid

Systemtic Name: 5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-3-pyrazin-2-yl-thiophene-2-carboxylic acid Openeye Name: 5-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-pyrazin-2-yl-thiophene-2-carboxylic acid CAS Name: 5-(1-hydroxy-1-oxopropan-2-yl)-3-(2-pyrazinyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(1-hydroxy-1-oxopropan-2-yl)-3-pyrazin-2-ylthiophene-2-carboxylic acid Traditional Name: 5-(2-hydroxy-2-keto-1-methyl-ethyl)-3-pyrazin-2-yl-2-thenoic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(S1)C(=O)O)C2=NC=CN=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(S1)C(=O)O)C2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C12H10N2O4S/c1-6(11(15)16)9-4-7(10(19-9)12(17)18)8-5-13-2-3-14-8/h2-6H,1H3,(H,15,16)(H,17,18)