(2-hept-2-ynylsulfanylphenyl) 2-azanylethanoate

Systemtic Name: (2-hept-2-ynylsulfanylphenyl) 2-azanylethanoate Openeye Name: (2-hept-2-ynylsulfanylphenyl) 2-aminoacetate CAS Name: 2-aminoacetic acid [2-(hept-2-ynylthio)phenyl] ester IUPAC Name: (2-hept-2-ynylsulfanylphenyl) 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-(hept-2-ynylthio)phenyl] ester Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCSC1=CC=CC=C1OC(=O)CN

Isomeric SMILES

CCCCC#CCSC1=CC=CC=C1OC(=O)CN

InChI

InChI=1S/C15H19NO2S/c1-2-3-4-5-8-11-19-14-10-7-6-9-13(14)18-15(17)12-16/h6-7,9-10H,2-4,11-12,16H2,1H3