ethyl 4-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-(2-fluorophenyl)-7-keto-3-o-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]-3-keto-butyric acid ethyl ester Formula: C25H22FN3O5S3 MolecularWeight: 559.652683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)CC(=O)OCC)C4=CC=CC=C4F)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)CC(=O)OCC)C4=CC=CC=C4F)SC2=S

InChI

InChI=1S/C25H22FN3O5S3/c1-3-33-19-12-8-7-11-18(19)28-22-21(37-25(28)35)23(32)29(17-10-6-5-9-16(17)26)24(27-22)36-14-15(30)13-20(31)34-4-2/h5-12H,3-4,13-14H2,1-2H3