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

Systemtic Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-1,3-thiazol-4-yl]phenoxy]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-thiazol-4-yl]phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[(2E)-2-(4-imidazolylidene)-3H-thiazol-4-yl]phenoxy]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[(2E)-2-imidazol-4-ylidene-3H-1,3-thiazol-4-yl]phenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-[(2E)-2-imidazol-4-ylidene-4-thiazolin-4-yl]phenoxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)C2=CSC(=C3C=NC=N3)N2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)C2=CS/C(=C/3\C=NC=N3)/N2

InChI

InChI=1S/C21H25N3O3S/c1-4-26-20(25)21(2,3)10-5-11-27-16-8-6-15(7-9-16)18-13-28-19(24-18)17-12-22-14-23-17/h6-9,12-14,24H,4-5,10-11H2,1-3H3/b19-17+