2-methyl-2-[7-(2-phenyl-1,3-thiazol-4-yl)heptoxy]propanoic acid

Systemtic Name: 2-methyl-2-[7-(2-phenyl-1,3-thiazol-4-yl)heptoxy]propanoic acid Openeye Name: 2-methyl-2-[7-(2-phenylthiazol-4-yl)heptoxy]propanoic acid CAS Name: 2-methyl-2-[7-(2-phenyl-4-thiazolyl)heptoxy]propanoic acid IUPAC Name: 2-methyl-2-[7-(2-phenyl-1,3-thiazol-4-yl)heptoxy]propanoic acid Traditional Name: 2-methyl-2-[7-(2-phenylthiazol-4-yl)heptoxy]propionic acid Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OCCCCCCCC1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)O)OCCCCCCCC1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO3S/c1-20(2,19(22)23)24-14-10-5-3-4-9-13-17-15-25-18(21-17)16-11-7-6-8-12-16/h6-8,11-12,15H,3-5,9-10,13-14H2,1-2H3,(H,22,23)