[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethylsulfanylbenzoate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)O[C@H](C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H20N2O3S2/c1-5-25-14-9-7-6-8-13(14)19(23)24-11(3)16-20-17(22)15-10(2)12(4)26-18(15)21-16/h6-9,11H,5H2,1-4H3,(H,20,21,22)/t11-/m1/s1