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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSC)C(=O)O

InChI

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