(E)-4-oxidanyl-2-oxidanylidene-4-(2-phenylsulfanyl-1,3-thiazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-(2-phenylsulfanyl-1,3-thiazol-4-yl)but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-(2-phenylsulfanylthiazol-4-yl)but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[2-(phenylthio)-4-thiazolyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-(2-phenylsulfanyl-1,3-thiazol-4-yl)but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[2-(phenylthio)thiazol-4-yl]but-3-enoic acid Formula: C13H9NO4S2 MolecularWeight: 307.34486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H9NO4S2/c15-10(6-11(16)12(17)18)9-7-19-13(14-9)20-8-4-2-1-3-5-8/h1-7,15H,(H,17,18)/b10-6+