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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C22H16N4O3S/c27-19(28-12-15-10-25-26(11-15)16-6-2-1-3-7-16)13-30-22-21-20(23-14-24-22)17-8-4-5-9-18(17)29-21/h1-11,14H,12-13H2