ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylate CAS Name: 2-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]-3,5-dimethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanyl-3,5-dimethylimidazole-4-carboxylate Traditional Name: 2-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]-3,5-dimethyl-imidazole-4-carboxylic acid ethyl ester Formula: C29H44N2O4S MolecularWeight: 516.73566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NC(=C(N2C)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)OC)SC2=NC(=C(N2C)C(=O)OCC)C

InChI

InChI=1S/C29H44N2O4S/c1-6-8-9-10-11-12-13-14-15-16-19-23-20-17-18-21-24(23)26(28(33)34-5)36-29-30-22(3)25(31(29)4)27(32)35-7-2/h17-18,20-21,26H,6-16,19H2,1-5H3