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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=CC=C(S2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CC2=CC=C(S2)C(=O)/C=C(\C(=O)O)/O

InChI

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