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

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-methylbenzoate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C(=O)O[C@H](C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C18H18N2O3S/c1-9-7-5-6-8-13(9)18(22)23-11(3)15-19-16(21)14-10(2)12(4)24-17(14)20-15/h5-8,11H,1-4H3,(H,19,20,21)/t11-/m1/s1