[(2R)-3-oxidanylidenebutan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: [(2R)-3-oxidanylidenebutan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-propyl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid [(2R)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-3-oxobutan-2-yl] 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid [(1R)-2-keto-1-methyl-propyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OC(C)C(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)O[C@H](C)C(=O)C)C

InChI

InChI=1S/C19H18N2O3S2/c1-10-13(4)25-17-16(10)18(21-9-20-17)26-15-8-6-5-7-14(15)19(23)24-12(3)11(2)22/h5-9,12H,1-4H3/t12-/m1/s1