tert-butyl 2-[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[3-ethyl-5-(4-fluorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC(=C2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)OC(C)(C)C)SC(=C2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H23FN2O3S2/c1-6-24-19(26)17-16(13-7-9-14(22)10-8-13)12(2)29-18(17)23-20(24)28-11-15(25)27-21(3,4)5/h7-10H,6,11H2,1-5H3