4-methylsulfanyl-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C16H17NO6S MolecularWeight: 351.37428

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6S/c1-24-7-6-12(16(20)21)17-14(18)9-22-11-4-2-10-3-5-15(19)23-13(10)8-11/h2-5,8,12H,6-7,9H2,1H3,(H,17,18)(H,20,21)