methyl 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-ethanoate

Systemtic Name: methyl 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-ethanoate Openeye Name: methyl 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanyl-acetate CAS Name: 2-(2-dodecylphenyl)-2-[(1-ethyl-2-imidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-dodecylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethylimidazol-2-yl)thio]-2-(2-laurylphenyl)acetic acid methyl ester Formula: C26H40N2O2S MolecularWeight: 444.673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NC=CN2CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NC=CN2CC

InChI

InChI=1S/C26H40N2O2S/c1-4-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19-23(22)24(25(29)30-3)31-26-27-20-21-28(26)5-2/h15-16,18-21,24H,4-14,17H2,1-3H3