3-methylsulfanyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-methylsulfanyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(methylthio)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CSCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S/c1-29-12-17(21(25)26)22-19(23)11-27-14-7-8-15-16(13-5-3-2-4-6-13)10-20(24)28-18(15)9-14/h2-10,17H,11-12H2,1H3,(H,22,23)(H,25,26)