(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-phenylprop-2-enoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-phenylprop-2-enoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H16N2O3S/c25-19(12-11-15-7-3-1-4-8-15)27-13-18-23-21(26)20-17(14-28-22(20)24-18)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,23,24,26)/b12-11+