(2S)-4-methylsulfanyl-2-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21NO7S/c1-31-8-7-15(22(27)28)23-20(26)12-29-14-9-16(24)21-17(25)11-18(30-19(21)10-14)13-5-3-2-4-6-13/h2-6,9-11,15,24H,7-8,12H2,1H3,(H,23,26)(H,27,28)/t15-/m0/s1