(2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]-4-(methylthio)butyric acid Formula: C15H16BrNO5S MolecularWeight: 402.26024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

InChI

InChI=1S/C15H16BrNO5S/c1-23-5-4-11(14(19)20)17-7-9-12(18)3-2-8-6-10(16)15(21)22-13(8)9/h2-3,6,11,17-18H,4-5,7H2,1H3,(H,19,20)/t11-/m0/s1