S-(2-azanylethyl) 2-acetamido-3-phenyl-propanethioate

Systemtic Name: S-(2-azanylethyl) 2-acetamido-3-phenyl-propanethioate Openeye Name: S-(2-aminoethyl) 2-acetamido-3-phenyl-propanethioate CAS Name: 2-acetamido-3-phenylpropanethioic acid S-(2-aminoethyl) ester IUPAC Name: S-(2-aminoethyl) 2-acetamido-3-phenylpropanethioate Traditional Name: 2-acetamido-3-phenyl-propanethioic acid S-(2-aminoethyl) ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)SCCN

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)SCCN

InChI

InChI=1S/C13H18N2O2S/c1-10(16)15-12(13(17)18-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,16)