2-azanyl-3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-bromo-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-bromo-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(7-bromo-2-keto-chromen-4-yl)methylthio]propionic acid Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCC(C(=O)O)N

InChI

InChI=1S/C13H12BrNO4S/c14-8-1-2-9-7(3-12(16)19-11(9)4-8)5-20-6-10(15)13(17)18/h1-4,10H,5-6,15H2,(H,17,18)