[(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3,3-dimethylbutanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3,3-dimethylbutanoate Openeye Name: [(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)OC(=O)CC(C)(C)C

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)OC(=O)CC(C)(C)C

InChI

InChI=1S/C18H20N2O3S2/c1-10(23-13(21)8-18(2,3)4)15-19-16(22)14-11(9-25-17(14)20-15)12-6-5-7-24-12/h5-7,9-10H,8H2,1-4H3,(H,19,20,22)/t10-/m1/s1