tert-butyl 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: tert-butyl 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: tert-butyl 5-[(2-pyridyldisulfanyl)methyl]benzofuran-2-carboxylate CAS Name: 5-[(2-pyridinyldisulfanyl)methyl]-2-benzofurancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-[(2-pyridyldisulfanyl)methyl]coumarilic acid tert-butyl ester Formula: C19H19NO3S2 MolecularWeight: 373.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(O1)C=CC(=C2)CSSC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(O1)C=CC(=C2)CSSC3=CC=CC=N3

InChI

InChI=1S/C19H19NO3S2/c1-19(2,3)23-18(21)16-11-14-10-13(7-8-15(14)22-16)12-24-25-17-6-4-5-9-20-17/h4-11H,12H2,1-3H3