2-[[5-[(3-carboxypyridin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[5-[(3-carboxypyridin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[5-[(3-carboxy-2-pyridyl)sulfanylmethyl]-2-phenyl-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[5-[[(3-carboxy-2-pyridinyl)thio]methyl]-2-phenyl-4-oxazolyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-[(3-carboxypyridin-2-yl)sulfanylmethyl]-2-phenyl-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[5-[[(3-carboxy-2-pyridyl)thio]methyl]-2-phenyl-oxazol-4-yl]methylthio]nicotinic acid Formula: C23H17N3O5S2 MolecularWeight: 479.52818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(O2)CSC3=C(C=CC=N3)C(=O)O)CSC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(O2)CSC3=C(C=CC=N3)C(=O)O)CSC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C23H17N3O5S2/c27-22(28)15-8-4-10-24-20(15)32-12-17-18(31-19(26-17)14-6-2-1-3-7-14)13-33-21-16(23(29)30)9-5-11-25-21/h1-11H,12-13H2,(H,27,28)(H,29,30)