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

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-methylbenzoate Openeye Name: [(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H16N2O3S2/c1-11-5-7-13(8-6-11)20(24)25-12(2)17-21-18(23)16-14(10-27-19(16)22-17)15-4-3-9-26-15/h3-10,12H,1-2H3,(H,21,22,23)/t12-/m1/s1