3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid CAS Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]propionic acid Formula: C11H12N2O4S2 MolecularWeight: 300.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C11H12N2O4S2/c1-7-13-9-3-2-8(6-10(9)18-7)19(16,17)12-5-4-11(14)15/h2-3,6,12H,4-5H2,1H3,(H,14,15)