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

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C17H14ClFN2O3S MolecularWeight: 380.821063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C17H14ClFN2O3S/c1-7-9(3)25-16-12(7)15(22)20-14(21-16)8(2)24-17(23)13-10(18)5-4-6-11(13)19/h4-6,8H,1-3H3,(H,20,21,22)