2-azanyl-3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propionic acid Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCC(C(=O)O)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C11H12ClNO4S/c12-7-1-6(2-9-10(7)17-5-16-9)3-18-4-8(13)11(14)15/h1-2,8H,3-5,13H2,(H,14,15)