(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic 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 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C23H20N2O3S2/c1-14-8-9-18(15(2)10-14)29-13-20(26)28-11-19-24-22(27)21-17(12-30-23(21)25-19)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H,24,25,27)