2-(2-azaniumylpropanoylamino)-2-phenylsulfanyl-ethanoate

Systemtic Name: 2-(2-azaniumylpropanoylamino)-2-phenylsulfanyl-ethanoate Openeye Name: 2-(2-azaniumylpropanoylamino)-2-phenylsulfanyl-acetate CAS Name: 2-[(2-ammonio-1-oxopropyl)amino]-2-(phenylthio)acetate IUPAC Name: 2-(2-azaniumylpropanoylamino)-2-phenylsulfanylacetate Traditional Name: 2-(2-ammoniopropanoylamino)-2-(phenylthio)acetate Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)[O-])SC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C(=O)NC(C(=O)[O-])SC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C11H14N2O3S/c1-7(12)9(14)13-10(11(15)16)17-8-5-3-2-4-6-8/h2-7,10H,12H2,1H3,(H,13,14)(H,15,16)