methyl 2-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 2-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C23H40N2O4S MolecularWeight: 440.6397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20(27)18-26)30-23-24-17-19(25(23)2)22(28)29-3/h15-17,20-21,26-27H,4-14,18H2,1-3H3/b16-15+