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

Systemtic Name: (E)-4-[5-[(4-ethanoylphenyl)methyl]thiophen-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-[(4-acetylphenyl)methyl]-3-thienyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-[(4-acetylphenyl)methyl]-3-thiophenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-[(4-acetylphenyl)methyl]thiophen-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(4-acetylbenzyl)-3-thienyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O5S/c1-10(18)12-4-2-11(3-5-12)6-14-7-13(9-23-14)15(19)8-16(20)17(21)22/h2-5,7-9,19H,6H2,1H3,(H,21,22)/b15-8+