3-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]amino]propanoic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]amino]propanoic acid Openeye Name: 3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid CAS Name: 3-[(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]propanoic acid IUPAC Name: 3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid Traditional Name: 3-[(1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)amino]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2C1NCCC(=O)O

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2C1NCCC(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)5-7-13-10-6-8-18(16,17)11-4-2-1-3-9(10)11/h1-4,10,13H,5-8H2,(H,14,15)