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

Systemtic Name: 4-methylsulfanyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-30-10-9-18(22(26)27)23-20(24)13-28-15-7-8-16-17(14-5-3-2-4-6-14)12-21(25)29-19(16)11-15/h2-8,11-12,18H,9-10,13H2,1H3,(H,23,24)(H,26,27)