3-[2-methyl-5-(oxan-2-yloxymethyl)-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 3-[2-methyl-5-(oxan-2-yloxymethyl)-1,3-thiazol-4-yl]benzoic acid Openeye Name: 3-[2-methyl-5-(tetrahydropyran-2-yloxymethyl)thiazol-4-yl]benzoic acid CAS Name: 3-[2-methyl-5-(2-oxanyloxymethyl)-4-thiazolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-(oxan-2-yloxymethyl)-1,3-thiazol-4-yl]benzoic acid Traditional Name: 3-[2-methyl-5-(tetrahydropyran-2-yloxymethyl)thiazol-4-yl]benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=C(S1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H19NO4S/c1-11-18-16(12-5-4-6-13(9-12)17(19)20)14(23-11)10-22-15-7-2-3-8-21-15/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,19,20)