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

Systemtic Name: (E)-4-[5-[(4-methylphenyl)methyl]thiophen-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[5-(p-tolylmethyl)-3-thienyl]but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[5-[(4-methylphenyl)methyl]-3-thiophenyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[5-[(4-methylphenyl)methyl]thiophen-3-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[5-(4-methylbenzyl)-3-thienyl]but-3-enoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC(=CS2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC(=CS2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H14O4S/c1-10-2-4-11(5-3-10)6-13-7-12(9-21-13)14(17)8-15(18)16(19)20/h2-5,7-9,17H,6H2,1H3,(H,19,20)/b14-8+