ethyl 2,2-dimethyl-7-[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]heptanoate

Systemtic Name: ethyl 2,2-dimethyl-7-[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]heptanoate Openeye Name: ethyl 2,2-dimethyl-7-[4-[5-methyl-2-(3-pyridyl)thiazol-4-yl]phenoxy]heptanoate CAS Name: 2,2-dimethyl-7-[4-[5-methyl-2-(3-pyridinyl)-4-thiazolyl]phenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-7-[4-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]heptanoate Traditional Name: 2,2-dimethyl-7-[4-[5-methyl-2-(3-pyridyl)thiazol-4-yl]phenoxy]enanthic acid ethyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)C3=CN=CC=C3)C

InChI

InChI=1S/C26H32N2O3S/c1-5-30-25(29)26(3,4)15-7-6-8-17-31-22-13-11-20(12-14-22)23-19(2)32-24(28-23)21-10-9-16-27-18-21/h9-14,16,18H,5-8,15,17H2,1-4H3