ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5-propyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5-propyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxo-ethyl]sulfanyl-1-methyl-5-propyl-imidazole-4-carboxylate CAS Name: 2-[[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]thio]-1-methyl-5-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-dodecylphenyl)-2-methoxy-2-oxoethyl]sulfanyl-1-methyl-5-propylimidazole-4-carboxylate Traditional Name: 2-[[2-keto-1-(2-laurylphenyl)-2-methoxy-ethyl]thio]-1-methyl-5-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C31H48N2O4S MolecularWeight: 544.78882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O4S/c1-6-9-10-11-12-13-14-15-16-17-21-24-22-18-19-23-25(24)28(30(35)36-5)38-31-32-27(29(34)37-8-3)26(20-7-2)33(31)4/h18-19,22-23,28H,6-17,20-21H2,1-5H3