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

Systemtic Name: 3-methylsulfanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]amino]propanoic acid CAS Name: 3-(methylthio)-2-[[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO6S2/c1-27-10-14(19(23)24)20-17(21)9-25-11-4-5-13-15(7-11)26-16(18(13)22)8-12-3-2-6-28-12/h2-8,14H,9-10H2,1H3,(H,20,21)(H,23,24)