(E)-4-oxidanyl-2-oxidanylidene-4-(3-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-(3-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-(3-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[3-(phenylthio)-1H-pyrazol-5-yl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-(3-phenylsulfanyl-1H-pyrazol-5-yl)but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[3-(phenylthio)-1H-pyrazol-5-yl]but-3-enoic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NNC(=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NNC(=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H10N2O4S/c16-10(7-11(17)13(18)19)9-6-12(15-14-9)20-8-4-2-1-3-5-8/h1-7,16H,(H,14,15)(H,18,19)/b10-7+