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

Systemtic Name: (E)-4-[5-[(4-ethanoylphenyl)methyl]thiophen-2-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[5-[(4-acetylphenyl)methyl]-2-thienyl]-2-hydroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[5-[(4-acetylphenyl)methyl]-2-thiophenyl]-2-hydroxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[5-[(4-acetylphenyl)methyl]thiophen-2-yl]-2-hydroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[5-(4-acetylbenzyl)-2-thienyl]-2-hydroxy-4-keto-but-2-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=C(S2)C(=O)C=C(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CC=C(S2)C(=O)/C=C(\C(=O)O)/O

InChI

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