S-[2-(3-acetamidopropanoylamino)ethyl] (E)-octadec-9-enethioate

Systemtic Name: S-[2-(3-acetamidopropanoylamino)ethyl] (E)-octadec-9-enethioate Openeye Name: S-[2-(3-acetamidopropanoylamino)ethyl] (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-[2-[(3-acetamido-1-oxopropyl)amino]ethyl] ester IUPAC Name: S-[2-(3-acetamidopropanoylamino)ethyl] (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-[2-(3-acetamidopropanoylamino)ethyl] ester Formula: C25H46N2O3S MolecularWeight: 454.70934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C

InChI

InChI=1S/C25H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30)31-22-21-27-24(29)19-20-26-23(2)28/h10-11H,3-9,12-22H2,1-2H3,(H,26,28)(H,27,29)/b11-10+