(2-azanyl-2-sulfanylidene-ethyl) (2S)-2-acetamido-3-phenyl-propanoate

Systemtic Name: (2-azanyl-2-sulfanylidene-ethyl) (2S)-2-acetamido-3-phenyl-propanoate Openeye Name: (2-amino-2-thioxo-ethyl) (2S)-2-acetamido-3-phenyl-propanoate CAS Name: (2S)-2-acetamido-3-phenylpropanoic acid (2-amino-2-sulfanylideneethyl) ester IUPAC Name: (2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate Traditional Name: (2S)-2-acetamido-3-phenyl-propionic acid (2-amino-2-thioxo-ethyl) ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC(=S)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC(=S)N

InChI

InChI=1S/C13H16N2O3S/c1-9(16)15-11(13(17)18-8-12(14)19)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,14,19)(H,15,16)/t11-/m0/s1