ethyl 2-acetamido-3-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-[(E)-1-oxidanylidenehexadec-3-en-2-yl]sulfanyl-propanoate Openeye Name: ethyl 2-acetamido-3-[(E)-1-formylpentadec-2-enyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(E)-1-oxohexadec-3-en-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[(E)-1-oxohexadec-3-en-2-yl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[(E)-1-formylpentadec-2-enyl]thio]propionic acid ethyl ester Formula: C23H41NO4S MolecularWeight: 427.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C=O)SCC(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C=O)SCC(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C23H41NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(18-25)29-19-22(24-20(3)26)23(27)28-5-2/h16-18,21-22H,4-15,19H2,1-3H3,(H,24,26)/b17-16+