2-azanyl-3-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]propionic acid Formula: C12H15F2NO4S MolecularWeight: 307.313606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSCC(C(=O)O)N)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CSCC(C(=O)O)N)OC(F)F

InChI

InChI=1S/C12H15F2NO4S/c1-18-10-4-7(2-3-9(10)19-12(13)14)5-20-6-8(15)11(16)17/h2-4,8,12H,5-6,15H2,1H3,(H,16,17)