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

Systemtic Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid bromide Openeye Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid bromide CAS Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid bromide IUPAC Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)pyridine-2,3-dicarboxylic acid bromide Traditional Name: 5-(2,3-dihydro-1,3-benzothiazol-2-ylmethyl)quinolinic acid bromide Formula: C15H12BrN2O4S- MolecularWeight: 396.23578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)CC3=CN=C(C(=C3)C(=O)O)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(S2)CC3=CN=C(C(=C3)C(=O)O)C(=O)O.[Br-]

InChI

InChI=1S/C15H12N2O4S.BrH/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);1H/p-1