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

Systemtic Name: ethyl 2,2-dimethyl-7-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]heptanoate Openeye Name: ethyl 2,2-dimethyl-7-[4-[2-(3-pyridyl)thiazol-4-yl]phenoxy]heptanoate CAS Name: 2,2-dimethyl-7-[4-[2-(3-pyridinyl)-4-thiazolyl]phenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-7-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]heptanoate Traditional Name: 2,2-dimethyl-7-[4-[2-(3-pyridyl)thiazol-4-yl]phenoxy]enanthic acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-4-29-24(28)25(2,3)14-6-5-7-16-30-21-12-10-19(11-13-21)22-18-31-23(27-22)20-9-8-15-26-17-20/h8-13,15,17-18H,4-7,14,16H2,1-3H3