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

Systemtic Name: 4-methylsulfanyl-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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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(CCSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-10-7-14(17-11(2)12(3)19(24)26-15(17)8-10)25-9-16(21)20-13(18(22)23)5-6-27-4/h7-8,13H,5-6,9H2,1-4H3,(H,20,21)(H,22,23)