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

Systemtic Name: (3-cyanophenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: (3-cyanophenyl)methyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid (3-cyanobenzyl) ester Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H13N3O3S/c21-9-13-4-3-5-14(8-13)10-25-17(24)11-27-20-19-18(22-12-23-20)15-6-1-2-7-16(15)26-19/h1-8,12H,10-11H2