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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(3,4-dimethylphenyl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-(3,4-dimethylphenyl)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(3,4-dimethylphenyl)thiazol-2-yl]amino]benzoic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H16N2O2S/c1-11-3-4-14(9-12(11)2)16-10-23-18(20-16)19-15-7-5-13(6-8-15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)