5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-3H-2-benzofuran-1-one

Systemtic Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-3H-2-benzofuran-1-one Openeye Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-3H-isobenzofuran-1-one CAS Name: 5-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]-3H-isobenzofuran-1-one IUPAC Name: 5-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]-3H-2-benzofuran-1-one Traditional Name: 5-[5-[(2-phenoxyethylthio)methyl]-1,3,4-oxadiazol-2-yl]phthalide Formula: C19H16N2O4S MolecularWeight: 368.40634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=NN=C(O3)CSCCOC4=CC=CC=C4)C(=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=NN=C(O3)CSCCOC4=CC=CC=C4)C(=O)O1

InChI

InChI=1S/C19H16N2O4S/c22-19-16-7-6-13(10-14(16)11-24-19)18-21-20-17(25-18)12-26-9-8-23-15-4-2-1-3-5-15/h1-7,10H,8-9,11-12H2