4-methylsulfanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C20H19NO6S2 MolecularWeight: 433.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2

InChI

InChI=1S/C20H19NO6S2/c1-28-8-6-15(20(24)25)21-18(22)11-26-12-4-5-14-16(9-12)27-17(19(14)23)10-13-3-2-7-29-13/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,21,22)(H,24,25)