ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-1,3-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate

Systemtic Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-1,3-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-thiazol-4-yl]phenoxy]-2,2-dimethyl-heptanoate CAS Name: 5-[4-[(2E)-2-(4-imidazolylidene)-3H-thiazol-4-yl]phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-1,3-thiazol-4-yl]phenoxy]-2,2-dimethylheptanoate Traditional Name: 5-[4-[(2E)-2-imidazol-4-ylidene-4-thiazolin-4-yl]phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)(C)C(=O)OCC)OC1=CC=C(C=C1)C2=CSC(=C3C=NC=N3)N2

Isomeric SMILES

CCC(CCC(C)(C)C(=O)OCC)OC1=CC=C(C=C1)C2=CS/C(=C/3\C=NC=N3)/N2

InChI

InChI=1S/C23H29N3O3S/c1-5-17(11-12-23(3,4)22(27)28-6-2)29-18-9-7-16(8-10-18)20-14-30-21(26-20)19-13-24-15-25-19/h7-10,13-15,17,26H,5-6,11-12H2,1-4H3/b21-19+