N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-sulfanyl-ethanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-sulfanyl-ethanamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]-2-sulfanyl-acetamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-mercaptoacetamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-sulfanylacetamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]-2-mercapto-acetamide Formula: C20H39NO3S MolecularWeight: 373.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CS)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CS)O

InChI

InChI=1S/C20H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-22)21-20(24)17-25/h14-15,18-19,22-23,25H,2-13,16-17H2,1H3,(H,21,24)/b15-14+