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

Systemtic Name: ethyl 7-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-(2,5-dimethylthiazol-4-yl)phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-(2,5-dimethyl-4-thiazolyl)phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-(2,5-dimethylthiazol-4-yl)phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S/c1-6-25-21(24)22(4,5)14-8-7-9-15-26-19-12-10-18(11-13-19)20-16(2)27-17(3)23-20/h10-13H,6-9,14-15H2,1-5H3