1-[2,4-bis(methylsulfanyl)phenoxy]carbonylazetidine-2-carboxylic acid

Systemtic Name: 1-[2,4-bis(methylsulfanyl)phenoxy]carbonylazetidine-2-carboxylic acid Openeye Name: 1-[2,4-bis(methylsulfanyl)phenoxy]carbonylazetidine-2-carboxylic acid CAS Name: 1-[[2,4-bis(methylthio)phenoxy]-oxomethyl]-2-azetidinecarboxylic acid IUPAC Name: 1-[2,4-bis(methylsulfanyl)phenoxy]carbonylazetidine-2-carboxylic acid Traditional Name: 1-[2,4-bis(methylthio)phenoxy]carbonylazetidine-2-carboxylic acid Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OC(=O)N2CCC2C(=O)O)SC

Isomeric SMILES

CSC1=CC(=C(C=C1)OC(=O)N2CCC2C(=O)O)SC

InChI

InChI=1S/C13H15NO4S2/c1-19-8-3-4-10(11(7-8)20-2)18-13(17)14-6-5-9(14)12(15)16/h3-4,7,9H,5-6H2,1-2H3,(H,15,16)