2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]pentanedioic acid

Systemtic Name: 2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]pentanedioic acid Openeye Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]thiazol-4-yl]pentanedioic acid CAS Name: 2-[2-[[oxo-[6-(phenoxymethyl)-2-pyridinyl]methyl]amino]-4-thiazolyl]pentanedioic acid IUPAC Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]-1,3-thiazol-4-yl]pentanedioic acid Traditional Name: 2-[2-[[6-(phenoxymethyl)picolinoyl]amino]thiazol-4-yl]glutaric acid Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC(=N2)C(=O)NC3=NC(=CS3)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC(=N2)C(=O)NC3=NC(=CS3)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O6S/c25-18(26)10-9-15(20(28)29)17-12-31-21(23-17)24-19(27)16-8-4-5-13(22-16)11-30-14-6-2-1-3-7-14/h1-8,12,15H,9-11H2,(H,25,26)(H,28,29)(H,23,24,27)