2-azanyl-3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSCC(C(=O)O)N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSCC(C(=O)O)N

InChI

InChI=1S/C12H14ClNO4S/c13-8-3-7(5-19-6-9(14)12(15)16)4-10-11(8)18-2-1-17-10/h3-4,9H,1-2,5-6,14H2,(H,15,16)