methyl-[3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylpropanoyl]carbamic acid

Systemtic Name: methyl-[3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylpropanoyl]carbamic acid Openeye Name: 3-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanylpropanoyl-methyl-carbamic acid CAS Name: [3-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]-1-oxopropyl]-methylcarbamic acid IUPAC Name: 3-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylpropanoyl-methylcarbamic acid Traditional Name: methyl-[3-[[(E)-1-methylolpentadec-2-enyl]thio]propanoyl]carbamic acid Formula: C21H39NO4S MolecularWeight: 401.60366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CO)SCCC(=O)N(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CO)SCCC(=O)N(C)C(=O)O

InChI

InChI=1S/C21H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(18-23)27-17-16-20(24)22(2)21(25)26/h14-15,19,23H,3-13,16-18H2,1-2H3,(H,25,26)/b15-14+