methyl 2-[2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(4-fluorophenyl)isothiazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-(4-fluorophenyl)-7-isothiazolo[4,5-d]pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(4-fluorophenyl)isothiazolo[4,5-d]pyrimidin-7-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H15FN4O3S2 MolecularWeight: 454.497203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2SN=C3C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2SN=C3C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O3S2/c1-29-21(28)14-4-2-3-5-15(14)25-16(27)10-30-20-19-18(23-11-24-20)17(26-31-19)12-6-8-13(22)9-7-12/h2-9,11H,10H2,1H3,(H,25,27)