2-azanyl-3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCC(C(=O)O)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C12H14ClNO4S/c13-9-1-7-3-17-6-18-11(7)8(2-9)4-19-5-10(14)12(15)16/h1-2,10H,3-6,14H2,(H,15,16)