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

Systemtic Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-5-methyl-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-[2-[[4-(1-imidazolyl)-1-oxobutyl]amino]-5-methyl-4-thiazolyl]phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-5-methyl-thiazol-4-yl]phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCCN3C=CN=C3)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCCN3C=CN=C3)C

InChI

InChI=1S/C28H38N4O4S/c1-5-35-26(34)28(3,4)15-7-6-8-19-36-23-13-11-22(12-14-23)25-21(2)37-27(31-25)30-24(33)10-9-17-32-18-16-29-20-32/h11-14,16,18,20H,5-10,15,17,19H2,1-4H3,(H,30,31,33)