[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: [5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H15FN2O3S2 MolecularWeight: 414.473103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2)F

InChI

InChI=1S/C20H15FN2O3S2/c1-10-3-5-12(7-14(10)21)20(25)26-8-16-22-18(24)17-13(9-27-19(17)23-16)15-6-4-11(2)28-15/h3-7,9H,8H2,1-2H3,(H,22,23,24)