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

Systemtic Name: 4-methylsulfanyl-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-3-4-12-9-18(22)26-16-10-13(5-6-14(12)16)25-11-17(21)20-15(19(23)24)7-8-27-2/h5-6,9-10,15H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,23,24)