(4-methylsulfanylphenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid [4-(methylthio)benzyl] ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3S2/c1-26-14-8-6-13(7-9-14)10-24-17(23)11-27-20-19-18(21-12-22-20)15-4-2-3-5-16(15)25-19/h2-9,12H,10-11H2,1H3