(E)-2-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanylhexadec-3-enoic acid

Systemtic Name: (E)-2-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanylhexadec-3-enoic acid Openeye Name: (E)-2-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanylhexadec-3-enoic acid CAS Name: (E)-2-[(5-methoxycarbonyl-1-methyl-2-imidazolyl)thio]-3-hexadecenoic acid IUPAC Name: (E)-2-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanylhexadec-3-enoic acid Traditional Name: (E)-2-[(5-carbomethoxy-1-methyl-imidazol-2-yl)thio]hexadec-3-enoic acid Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(25)26)29-22-23-17-18(24(22)2)21(27)28-3/h15-17,19H,4-14H2,1-3H3,(H,25,26)/b16-15+