2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)thio]propanoic acid IUPAC Name: 2-[(4-nitro-1,3-benzothiazol-5-yl)sulfanyl]propanoic acid Traditional Name: 2-[(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:

CC(C(=O)O)SC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S2/c1-5(10(13)14)18-7-3-2-6-8(11-4-17-6)9(7)12(15)16/h2-5H,1H3,(H,13,14)