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

Systemtic Name: 3-[4-(oxan-2-yloxymethyl)-5-propyl-1,3-thiazol-2-yl]benzoic acid Openeye Name: 3-[5-propyl-4-(tetrahydropyran-2-yloxymethyl)thiazol-2-yl]benzoic acid CAS Name: 3-[4-(2-oxanyloxymethyl)-5-propyl-2-thiazolyl]benzoic acid IUPAC Name: 3-[4-(oxan-2-yloxymethyl)-5-propyl-1,3-thiazol-2-yl]benzoic acid Traditional Name: 3-[5-propyl-4-(tetrahydropyran-2-yloxymethyl)thiazol-2-yl]benzoic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)C2=CC(=CC=C2)C(=O)O)COC3CCCCO3

Isomeric SMILES

CCCC1=C(N=C(S1)C2=CC(=CC=C2)C(=O)O)COC3CCCCO3

InChI

InChI=1S/C19H23NO4S/c1-2-6-16-15(12-24-17-9-3-4-10-23-17)20-18(25-16)13-7-5-8-14(11-13)19(21)22/h5,7-8,11,17H,2-4,6,9-10,12H2,1H3,(H,21,22)