3-methylsulfanyl-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-methylsulfanyl-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(methylthio)-2-[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 2-[[2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C18H21NO6S/c1-9-5-13(16-10(2)11(3)18(23)25-14(16)6-9)24-7-15(20)19-12(8-26-4)17(21)22/h5-6,12H,7-8H2,1-4H3,(H,19,20)(H,21,22)