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

Systemtic Name: methyl (E)-5-[4-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-2-enoate Openeye Name: methyl (E)-4-hydroxy-5-[4-(2-methoxy-2-oxo-ethyl)-1-methyl-imidazol-2-yl]sulfanyl-nonadec-2-enoate CAS Name: (E)-4-hydroxy-5-[[4-(2-methoxy-2-oxoethyl)-1-methyl-2-imidazolyl]thio]-2-nonadecenoic acid methyl ester IUPAC Name: methyl (E)-4-hydroxy-5-[4-(2-methoxy-2-oxoethyl)-1-methylimidazol-2-yl]sulfanylnonadec-2-enoate Traditional Name: (E)-4-hydroxy-5-[[4-(2-keto-2-methoxy-ethyl)-1-methyl-imidazol-2-yl]thio]nonadec-2-enoic acid methyl ester Formula: C27H46N2O5S MolecularWeight: 510.72954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24(23(30)18-19-25(31)33-3)35-27-28-22(21-29(27)2)20-26(32)34-4/h18-19,21,23-24,30H,5-17,20H2,1-4H3/b19-18+