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

Systemtic Name: (E)-2-oxidanyl-4-oxidanylidene-4-(4-phenylsulfanyl-1,3-thiazol-2-yl)but-2-enoic acid Openeye Name: (E)-2-hydroxy-4-oxo-4-(4-phenylsulfanylthiazol-2-yl)but-2-enoic acid CAS Name: (E)-2-hydroxy-4-oxo-4-[4-(phenylthio)-2-thiazolyl]-2-butenoic acid IUPAC Name: (E)-2-hydroxy-4-oxo-4-(4-phenylsulfanyl-1,3-thiazol-2-yl)but-2-enoic acid Traditional Name: (E)-2-hydroxy-4-keto-4-[4-(phenylthio)thiazol-2-yl]but-2-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=CSC(=N2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CSC(=N2)C(=O)/C=C(\C(=O)O)/O

InChI

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