2-[4-(2-phenylethanoyl)phenyl]-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-[4-(2-phenylethanoyl)phenyl]-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-[4-(2-phenylacetyl)phenyl]-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[4-(1-oxo-2-phenylethyl)phenyl]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-[4-(2-phenylacetyl)phenyl]-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[4-(2-phenylacetyl)phenyl]-1,3-benzothiazole-5-carboxylic acid Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)C3=NC4=C(S3)C=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)C3=NC4=C(S3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C22H15NO3S/c24-19(12-14-4-2-1-3-5-14)15-6-8-16(9-7-15)21-23-18-13-17(22(25)26)10-11-20(18)27-21/h1-11,13H,12H2,(H,25,26)