2-[2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC(CCSC)C(=O)O)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)NC(CCSC)C(=O)O)O)C

InChI

InChI=1S/C18H23NO7S/c1-18(2)8-13(21)16-12(20)6-10(7-14(16)26-18)25-9-15(22)19-11(17(23)24)4-5-27-3/h6-7,11,20H,4-5,8-9H2,1-3H3,(H,19,22)(H,23,24)