methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]propanoate

Systemtic Name: methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]propanoate Openeye Name: methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethyl-imidazol-4-yl]propanoate CAS Name: 2-[5-[(3,5-dimethylphenyl)thio]-1,2-dimethyl-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[5-(3,5-dimethylphenyl)sulfanyl-1,2-dimethylimidazol-4-yl]propanoate Traditional Name: 2-[5-[(3,5-dimethylphenyl)thio]-1,2-dimethyl-imidazol-4-yl]propionic acid methyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N=C(N2C)C)C(C)C(=O)OC)C

InChI

InChI=1S/C17H22N2O2S/c1-10-7-11(2)9-14(8-10)22-16-15(12(3)17(20)21-6)18-13(4)19(16)5/h7-9,12H,1-6H3