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

Systemtic Name: (3-methylphenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: m-tolylmethyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid (3-methylbenzyl) ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3S/c1-13-5-4-6-14(9-13)10-24-17(23)11-26-20-19-18(21-12-22-20)15-7-2-3-8-16(15)25-19/h2-9,12H,10-11H2,1H3