2-(3,5-dimethylphenoxy)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C)C

InChI

InChI=1S/C22H23NO3S2/c1-15-10-16(2)12-20(11-15)25-8-9-26-22(24)18-4-6-21(7-5-18)28-14-19-13-27-17(3)23-19/h4-7,10-13H,8-9,14H2,1-3H3