[(Z)-octadec-9-enyl] 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: [(Z)-octadec-9-enyl] 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: [(Z)-octadec-9-enyl] 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid [(Z)-octadec-9-enyl] ester IUPAC Name: [(Z)-octadec-9-enyl] 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid [(Z)-octadec-9-enyl] ester Formula: C25H47NO3S MolecularWeight: 441.71058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C(CCSC)NC(=O)C

InChI

InChI=1S/C25H47NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-25(28)24(20-22-30-3)26-23(2)27/h11-12,24H,4-10,13-22H2,1-3H3,(H,26,27)/b12-11-