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

Systemtic Name: butyl 2-[3-ethyl-5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)N1CC

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)F)C(=O)N1CC

InChI

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