2-[4-(2-methoxy-5-octyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(2-methoxy-5-octyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-methoxy-5-octyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(2-methoxy-5-octylphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(2-methoxy-5-octylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(2-methoxy-5-octyl-phenyl)thiazol-2-yl]acetic acid Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C20H27NO3S/c1-3-4-5-6-7-8-9-15-10-11-18(24-2)16(12-15)17-14-25-19(21-17)13-20(22)23/h10-12,14H,3-9,13H2,1-2H3,(H,22,23)