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

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-cyanobenzoate Openeye Name: [(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C20H13N3O3S2 MolecularWeight: 407.46552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13N3O3S2/c1-11(26-20(25)13-6-4-12(9-21)5-7-13)17-22-18(24)16-14(10-28-19(16)23-17)15-3-2-8-27-15/h2-8,10-11H,1H3,(H,22,23,24)/t11-/m1/s1