[(1S)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1S)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)O[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H16N2O4S2/c1-10-5-3-6-12(16(10)23)20(25)26-11(2)17-21-18(24)15-13(9-28-19(15)22-17)14-7-4-8-27-14/h3-9,11,23H,1-2H3,(H,21,22,24)/t11-/m0/s1