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

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3,4-dimethylbenzoate Openeye Name: [(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-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] 3,4-dimethylbenzoate Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)OC(C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C

InChI

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