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

Systemtic Name: (E)-4-[5-[(3-fluorophenyl)methyl]thiophen-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-[(3-fluorophenyl)methyl]-3-thienyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-[(3-fluorophenyl)methyl]-3-thiophenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-[(3-fluorophenyl)methyl]thiophen-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(3-fluorobenzyl)-3-thienyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H11FO4S MolecularWeight: 306.308843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC2=CC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CC2=CC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H11FO4S/c16-11-3-1-2-9(4-11)5-12-6-10(8-21-12)13(17)7-14(18)15(19)20/h1-4,6-8,17H,5H2,(H,19,20)/b13-7+