5-(1,3-benzothiazol-6-ylcarbonylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(1,3-benzothiazol-6-ylcarbonylamino)thiophene-2-carboxylic acid Openeye Name: 5-(1,3-benzothiazole-6-carbonylamino)thiophene-2-carboxylic acid CAS Name: 5-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(1,3-benzothiazole-6-carbonylamino)thiophene-2-carboxylic acid Traditional Name: 5-(1,3-benzothiazole-6-carbonylamino)-2-thenoic acid Formula: C13H8N2O3S2 MolecularWeight: 304.34422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=CC=C(S3)C(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=CC=C(S3)C(=O)O)SC=N2

InChI

InChI=1S/C13H8N2O3S2/c16-12(15-11-4-3-9(20-11)13(17)18)7-1-2-8-10(5-7)19-6-14-8/h1-6H,(H,15,16)(H,17,18)