(E)-4-oxidanyl-2-oxidanylidene-4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[2-(4-pyridylmethyl)thiazol-4-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[2-(pyridin-4-ylmethyl)-4-thiazolyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[2-(4-pyridylmethyl)thiazol-4-yl]but-3-enoic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=NC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CC2=NC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H10N2O4S/c16-10(6-11(17)13(18)19)9-7-20-12(15-9)5-8-1-3-14-4-2-8/h1-4,6-7,16H,5H2,(H,18,19)/b10-6+