3-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propanoic acid

Systemtic Name: 3-[1,3-dimethyl-2,2-bis(oxidanylidene)-2,1-benzothiazol-3-yl]propanoic acid Openeye Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanoic acid CAS Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(1,3-dimethyl-2,2-dioxo-2,1-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(2,2-diketo-1,3-dimethyl-2,1-benzothiazol-3-yl)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(S1(=O)=O)C)CCC(=O)O

Isomeric SMILES

CC1(C2=CC=CC=C2N(S1(=O)=O)C)CCC(=O)O

InChI

InChI=1S/C12H15NO4S/c1-12(8-7-11(14)15)9-5-3-4-6-10(9)13(2)18(12,16)17/h3-6H,7-8H2,1-2H3,(H,14,15)