2-(5-nitrothiophen-2-yl)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(5-nitrothiophen-2-yl)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(5-nitro-2-thienyl)-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(5-nitro-2-thiophenyl)-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(5-nitrothiophen-2-yl)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(5-nitro-2-thienyl)-1,3-benzothiazole-6-carboxylic acid Formula: C12H6N2O4S2 MolecularWeight: 306.31704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC(=N2)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC(=N2)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H6N2O4S2/c15-12(16)6-1-2-7-9(5-6)20-11(13-7)8-3-4-10(19-8)14(17)18/h1-5H,(H,15,16)