[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-(2-fluoranylphenoxy)ethanoate

Systemtic Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-(2-fluoranylphenoxy)ethanoate Openeye Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-(2-fluorophenoxy)acetate CAS Name: 2-(2-fluorophenoxy)acetic acid [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-(2-fluorophenoxy)acetate Traditional Name: 2-(2-fluorophenoxy)acetic acid [4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)COC3=CC=CC=C3F)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)COC3=CC=CC=C3F)C

InChI

InChI=1S/C21H23FN2O4S/c1-4-12(2)9-14-13(3)29-21-19(14)20(26)23-17(24-21)10-28-18(25)11-27-16-8-6-5-7-15(16)22/h5-8,12H,4,9-11H2,1-3H3,(H,23,24,26)/t12-/m0/s1