methyl 3-methyl-2-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-imidazole-4-carboxylate

Systemtic Name: methyl 3-methyl-2-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-imidazole-4-carboxylate Openeye Name: methyl 2-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 3-methyl-2-[[(E)-1-methylolpentadec-2-enyl]thio]imidazole-4-carboxylic acid methyl ester Formula: C22H38N2O3S MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CO)SC1=NC=C(N1C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CO)SC1=NC=C(N1C)C(=O)OC

InChI

InChI=1S/C22H38N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(18-25)28-22-23-17-20(24(22)2)21(26)27-3/h15-17,19,25H,4-14,18H2,1-3H3/b16-15+