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

Systemtic Name: 4-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[2-(m-tolyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[2-(3-methylphenyl)-4-thiazolyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[2-(m-tolyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O3S/c1-13-3-2-4-16(9-13)19-22-17(12-26-19)10-18(23)21-11-14-5-7-15(8-6-14)20(24)25/h2-9,12H,10-11H2,1H3,(H,21,23)(H,24,25)