2-[3-[2-(ethanoylsulfanylmethyl)-1-benzofuran-6-yl]propanoylamino]propanoate

Systemtic Name: 2-[3-[2-(ethanoylsulfanylmethyl)-1-benzofuran-6-yl]propanoylamino]propanoate Openeye Name: 2-[3-[2-(acetylsulfanylmethyl)benzofuran-6-yl]propanoylamino]propanoate CAS Name: 2-[[3-[2-[(acetylthio)methyl]-6-benzofuranyl]-1-oxopropyl]amino]propanoate IUPAC Name: 2-[3-[2-(acetylsulfanylmethyl)-1-benzofuran-6-yl]propanoylamino]propanoate Traditional Name: 2-[3-[2-[(acetylthio)methyl]benzofuran-6-yl]propanoylamino]propionate Formula: C17H18NO5S- MolecularWeight: 348.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCC1=CC2=C(C=C1)C=C(O2)CSC(=O)C

Isomeric SMILES

CC(C(=O)[O-])NC(=O)CCC1=CC2=C(C=C1)C=C(O2)CSC(=O)C

InChI

InChI=1S/C17H19NO5S/c1-10(17(21)22)18-16(20)6-4-12-3-5-13-8-14(9-24-11(2)19)23-15(13)7-12/h3,5,7-8,10H,4,6,9H2,1-2H3,(H,18,20)(H,21,22)/p-1