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

Systemtic Name: [(1R)-1-cyanoethyl] 4-(5-ethyl-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(5-ethyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethyl-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)OC(C)C#N)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(C=C3)C(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C19H17N3O3S/c1-4-14-11(3)26-18-15(14)17(23)21-16(22-18)12-5-7-13(8-6-12)19(24)25-10(2)9-20/h5-8,10H,4H2,1-3H3,(H,21,22,23)/t10-/m1/s1