methyl 2-[1-(2-dodecylphenyl)-5-ethoxy-2-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[1-(2-dodecylphenyl)-5-ethoxy-2-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[1-(2-dodecylphenyl)-5-ethoxy-2-hydroxy-5-oxo-pentyl]sulfanyl-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[1-(2-dodecylphenyl)-5-ethoxy-2-hydroxy-5-oxopentyl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(2-dodecylphenyl)-5-ethoxy-2-hydroxy-5-oxopentyl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 2-[[5-ethoxy-2-hydroxy-5-keto-1-(2-laurylphenyl)pentyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C31H48N2O5S MolecularWeight: 560.78822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O5S/c1-5-7-8-9-10-11-12-13-14-15-18-24-19-16-17-20-25(24)29(27(34)21-22-28(35)38-6-2)39-31-32-23-26(33(31)3)30(36)37-4/h16-17,19-20,23,27,29,34H,5-15,18,21-22H2,1-4H3