5-phenyl-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 5-phenyl-1,3-benzothiazole-4-carboxylic acid Openeye Name: 5-phenyl-1,3-benzothiazole-4-carboxylic acid CAS Name: 5-phenyl-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 5-phenyl-1,3-benzothiazole-4-carboxylic acid Traditional Name: 5-phenyl-1,3-benzothiazole-4-carboxylic acid Formula: C14H9NO2S MolecularWeight: 255.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(C=C2)SC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(C=C2)SC=N3)C(=O)O

InChI

InChI=1S/C14H9NO2S/c16-14(17)12-10(9-4-2-1-3-5-9)6-7-11-13(12)15-8-18-11/h1-8H,(H,16,17)