S-[6-(1-benzofuran-2-ylcarbonylamino)hexyl] 2-methylpropanethioate

Systemtic Name: S-[6-(1-benzofuran-2-ylcarbonylamino)hexyl] 2-methylpropanethioate Openeye Name: S-[6-(benzofuran-2-carbonylamino)hexyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[6-[[2-benzofuranyl(oxo)methyl]amino]hexyl] ester IUPAC Name: S-[6-(1-benzofuran-2-carbonylamino)hexyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[6-(benzofuran-2-carbonylamino)hexyl] ester Formula: C19H25NO3S MolecularWeight: 347.4717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2O1

Isomeric SMILES

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C19H25NO3S/c1-14(2)19(22)24-12-8-4-3-7-11-20-18(21)17-13-15-9-5-6-10-16(15)23-17/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,20,21)