ethyl 2-azanyl-3-heptylsulfanyl-propanoate

Systemtic Name: ethyl 2-azanyl-3-heptylsulfanyl-propanoate Openeye Name: ethyl 2-amino-3-heptylsulfanyl-propanoate CAS Name: 2-amino-3-(heptylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-heptylsulfanylpropanoate Traditional Name: 2-amino-3-(heptylthio)propionic acid ethyl ester Formula: C12H25NO2S MolecularWeight: 247.3974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)N

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)N

InChI

InChI=1S/C12H25NO2S/c1-3-5-6-7-8-9-16-10-11(13)12(14)15-4-2/h11H,3-10,13H2,1-2H3