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

Systemtic Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-1,3-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-[2-[[4-(1-imidazolyl)-1-oxobutyl]amino]-4-thiazolyl]phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-[2-(4-imidazol-1-ylbutanoylamino)-1,3-thiazol-4-yl]phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-[2-(4-imidazol-1-ylbutanoylamino)thiazol-4-yl]phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4S/c1-4-34-25(33)27(2,3)14-6-5-7-18-35-22-12-10-21(11-13-22)23-19-36-26(29-23)30-24(32)9-8-16-31-17-15-28-20-31/h10-13,15,17,19-20H,4-9,14,16,18H2,1-3H3,(H,29,30,32)