(2E)-4-methoxy-4-oxidanylidene-3-phenyl-2-[phenyl(thiophen-2-yl)methylidene]butanoic acid

Systemtic Name: (2E)-4-methoxy-4-oxidanylidene-3-phenyl-2-[phenyl(thiophen-2-yl)methylidene]butanoic acid Openeye Name: (2E)-4-methoxy-4-oxo-3-phenyl-2-[phenyl(2-thienyl)methylene]butanoic acid CAS Name: (2E)-4-methoxy-4-oxo-3-phenyl-2-[phenyl(thiophen-2-yl)methylidene]butanoic acid IUPAC Name: (2E)-4-methoxy-4-oxo-3-phenyl-2-[phenyl(thiophen-2-yl)methylidene]butanoic acid Traditional Name: (E)-2-(2-keto-2-methoxy-1-phenyl-ethyl)-3-phenyl-3-(2-thienyl)acrylic acid Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(=C(C2=CC=CC=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=CS3)/C(=O)O

InChI

InChI=1S/C22H18O4S/c1-26-22(25)19(16-11-6-3-7-12-16)20(21(23)24)18(17-13-8-14-27-17)15-9-4-2-5-10-15/h2-14,19H,1H3,(H,23,24)/b20-18+