(E)-4-oxidanyl-2-oxidanylidene-4-[5-(pyridin-4-ylmethyl)thiophen-3-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[5-(pyridin-4-ylmethyl)thiophen-3-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[5-(4-pyridylmethyl)-3-thienyl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[5-(pyridin-4-ylmethyl)-3-thiophenyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[5-(pyridin-4-ylmethyl)thiophen-3-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[5-(4-pyridylmethyl)-3-thienyl]but-3-enoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c16-12(7-13(17)14(18)19)10-6-11(20-8-10)5-9-1-3-15-4-2-9/h1-4,6-8,16H,5H2,(H,18,19)/b12-7+