4-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 4-[oxo-[[4-(2,4,6-trimethylphenyl)-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[(4-mesitylthiazol-2-yl)carbamoyl]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-11-8-12(2)17(13(3)9-11)16-10-26-20(21-16)22-18(23)14-4-6-15(7-5-14)19(24)25/h4-10H,1-3H3,(H,24,25)(H,21,22,23)