3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Openeye Name: 3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid CAS Name: 3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)thio]propanoic acid IUPAC Name: 3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Traditional Name: 3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)thio]propionic acid Formula: C11H10N2O4S2 MolecularWeight: 298.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C11H10N2O4S2/c1-6-12-7-4-10(18-3-2-11(14)15)8(13(16)17)5-9(7)19-6/h4-5H,2-3H2,1H3,(H,14,15)