2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)COC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H16N2O5S/c24-18(26-10-13-9-25-16-7-3-4-8-17(16)27-13)11-29-21-20-19(22-12-23-21)14-5-1-2-6-15(14)28-20/h1-8,12-13H,9-11H2