3-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)thio]propanoic acid IUPAC Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-nitro-1,3-benzothiazol-5-yl)thio]propionic acid Formula: C10H8N2O4S2 MolecularWeight: 284.31152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1SC=N2)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C2=C1SC=N2)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C10H8N2O4S2/c13-8(14)3-4-17-7-2-1-6-9(11-5-18-6)10(7)12(15)16/h1-2,5H,3-4H2,(H,13,14)