methyl 2-methyl-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-methyl-2-[[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[3-[(benzylthio)methyl]benzofuran-2-carbonyl]amino]-2-methyl-propionic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-22(2,21(25)26-3)23-20(24)19-17(16-11-7-8-12-18(16)27-19)14-28-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,23,24)