5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid CAS Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid Traditional Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)quinolinic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)CC3=CN=C(C(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(S2)CC3=CN=C(C(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c18-14(19)9-5-8(7-16-13(9)15(20)21)6-12-17-10-3-1-2-4-11(10)22-12/h1-5,7,12,17H,6H2,(H,18,19)(H,20,21)