ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoyloxy]benzoate

Systemtic Name: ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoyloxy]benzoate Openeye Name: ethyl 4-[2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]oxybenzoate CAS Name: 4-[2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]oxybenzoate Traditional Name: 4-[2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetyl]oxybenzoic acid ethyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C21H16N2O5S/c1-2-26-21(25)13-7-9-14(10-8-13)27-17(24)11-29-20-19-18(22-12-23-20)15-5-3-4-6-16(15)28-19/h3-10,12H,2,11H2,1H3