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

Systemtic Name: 2-azanyl-3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]propionic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSCC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSCC(C(=O)O)N

InChI

InChI=1S/C13H13NO5S/c14-10(13(17)18)6-20-5-7-3-12(16)19-11-4-8(15)1-2-9(7)11/h1-4,10,15H,5-6,14H2,(H,17,18)