(2-fluorophenyl) 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanoate

Systemtic Name: (2-fluorophenyl) 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanoate Openeye Name: (2-fluorophenyl) 2-[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetate CAS Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetate Traditional Name: 2-[[3-(3,4-dimethylphenyl)-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetic acid (2-fluorophenyl) ester Formula: C27H20FN3O3S3 MolecularWeight: 549.659403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)OC4=CC=CC=C4F)C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)OC4=CC=CC=C4F)C5=CC=CC=C5)SC2=S)C

InChI

InChI=1S/C27H20FN3O3S3/c1-16-12-13-19(14-17(16)2)30-24-23(37-27(30)35)25(33)31(18-8-4-3-5-9-18)26(29-24)36-15-22(32)34-21-11-7-6-10-20(21)28/h3-14H,15H2,1-2H3