3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzoic acid Openeye Name: 3-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzoic acid CAS Name: 3-[4-(3,4-dimethylphenyl)-2-thiazolyl]benzoic acid IUPAC Name: 3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzoic acid Traditional Name: 3-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzoic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC(=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC(=CC=C3)C(=O)O)C

InChI

InChI=1S/C18H15NO2S/c1-11-6-7-13(8-12(11)2)16-10-22-17(19-16)14-4-3-5-15(9-14)18(20)21/h3-10H,1-2H3,(H,20,21)