(2E)-2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-5-thiophen-2-yl-pentanoic acid

Systemtic Name: (2E)-2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-5-thiophen-2-yl-pentanoic acid Openeye Name: (2E)-2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methylene]-3-oxo-5-(2-thienyl)pentanoic acid CAS Name: (2E)-2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-3-oxo-5-thiophen-2-ylpentanoic acid IUPAC Name: (2E)-2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylidene]-3-oxo-5-thiophen-2-ylpentanoic acid Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-[3-(2-thienyl)propanoyl]acrylic acid Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=C(C(=O)CCC2=CC=CS2)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C(\C(=O)CCC2=CC=CS2)/C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C21H24O4S/c1-13-10-14(12-17(19(13)23)21(2,3)4)11-16(20(24)25)18(22)8-7-15-6-5-9-26-15/h5-6,9-12,23H,7-8H2,1-4H3,(H,24,25)/b16-11+