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

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2,3-dimethylbenzoate Openeye Name: [(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic 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] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OC(C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)O[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C21H18N2O3S2/c1-11-6-4-7-14(12(11)2)21(25)26-13(3)18-22-19(24)17-15(10-28-20(17)23-18)16-8-5-9-27-16/h4-10,13H,1-3H3,(H,22,23,24)/t13-/m1/s1