2-[2-[4-(3,4-dimethoxyphenyl)oxan-4-yl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(3,4-dimethoxyphenyl)oxan-4-yl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[4-(3,4-dimethoxyphenyl)-4-oxanyl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[4-(3,4-dimethoxyphenyl)oxan-4-yl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]thiazol-4-yl]acetic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)C3=NC(=CS3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)C3=NC(=CS3)CC(=O)O)OC

InChI

InChI=1S/C18H21NO5S/c1-22-14-4-3-12(9-15(14)23-2)18(5-7-24-8-6-18)17-19-13(11-25-17)10-16(20)21/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21)