2-(4-cyanophenoxy)ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid 2-(4-cyanophenoxy)ethyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)OCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N3O4S/c22-11-14-5-7-15(8-6-14)26-9-10-27-18(25)12-29-21-20-19(23-13-24-21)16-3-1-2-4-17(16)28-20/h1-8,13H,9-10,12H2