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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=CSC(=C2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CC2=CSC(=C2)C(=O)/C=C(\C(=O)O)/O

InChI

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