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

Systemtic Name: 3-[[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[2-(2-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]methyl]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)CC(=O)NCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-26-17-8-3-2-7-16(17)19-22-15(12-27-19)10-18(23)21-11-13-5-4-6-14(9-13)20(24)25/h2-9,12H,10-11H2,1H3,(H,21,23)(H,24,25)