methyl (E)-5-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-2-enoate

Systemtic Name: methyl (E)-5-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-2-enoate Openeye Name: methyl (E)-5-[4-(2-ethoxy-2-oxo-ethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-hydroxy-nonadec-2-enoate CAS Name: (E)-5-[[4-(2-ethoxy-2-oxoethyl)-1-methyl-2-imidazolyl]thio]-4-hydroxy-2-nonadecenoic acid methyl ester IUPAC Name: methyl (E)-5-[4-(2-ethoxy-2-oxoethyl)-1-methylimidazol-2-yl]sulfanyl-4-hydroxynonadec-2-enoate Traditional Name: (E)-5-[[4-(2-ethoxy-2-keto-ethyl)-1-methyl-imidazol-2-yl]thio]-4-hydroxy-nonadec-2-enoic acid methyl ester Formula: C28H48N2O5S MolecularWeight: 524.75612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C=CC(=O)OC)O)SC1=NC(=CN1C)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C(/C=C/C(=O)OC)O)SC1=NC(=CN1C)CC(=O)OCC

InChI

InChI=1S/C28H48N2O5S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-25(24(31)19-20-26(32)34-4)36-28-29-23(22-30(28)3)21-27(33)35-6-2/h19-20,22,24-25,31H,5-18,21H2,1-4H3/b20-19+