3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[2-(4-isopropylphenyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[1-oxo-2-[2-(4-propan-2-ylphenyl)-4-thiazolyl]ethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-(2-p-cumenylthiazol-4-yl)acetyl]amino]methyl]benzoic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H22N2O3S/c1-14(2)16-6-8-17(9-7-16)21-24-19(13-28-21)11-20(25)23-12-15-4-3-5-18(10-15)22(26)27/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,26,27)