2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid Openeye Name: 2-(3-pyridyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid CAS Name: 2-(3-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid Traditional Name: 2-(3-pyridyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1)SC(=N2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c16-13(17)9-4-1-5-10-11(9)15-12(18-10)8-3-2-6-14-7-8/h2-3,6-7,9H,1,4-5H2,(H,16,17)