methyl 2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanyl-ethanoate

Systemtic Name: methyl 2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanyl-ethanoate Openeye Name: methyl 2-(1-allylimidazol-2-yl)sulfanyl-2-(2-dodecylphenyl)acetate CAS Name: 2-(2-dodecylphenyl)-2-[(1-prop-2-enyl-2-imidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-dodecylphenyl)-2-(1-prop-2-enylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-allylimidazol-2-yl)thio]-2-(2-laurylphenyl)acetic acid methyl ester Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2S/c1-4-6-7-8-9-10-11-12-13-14-17-23-18-15-16-19-24(23)25(26(30)31-3)32-27-28-20-22-29(27)21-5-2/h5,15-16,18-20,22,25H,2,4,6-14,17,21H2,1,3H3