ethyl 2-[[3,3,3-trideuterio-2-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3,3,3-trideuterio-2-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoate Openeye Name: ethyl 2-[(2-benzoylsulfanyl-3,3,3-trideuterio-propanoyl)amino]acetate CAS Name: 2-[[2-(benzoylthio)-3,3,3-trideuterio-1-oxopropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzoylsulfanyl-3,3,3-trideuteriopropanoyl)amino]acetate Traditional Name: 2-[[2-(benzoylthio)-3,3,3-trideuterio-propanoyl]amino]acetic acid ethyl ester Formula: C14H17NO4S MolecularWeight: 298.372565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(C)SC(=O)C1=CC=CC=C1

Isomeric SMILES

[2H]C([2H])([2H])C(C(=O)NCC(=O)OCC)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NO4S/c1-3-19-12(16)9-15-13(17)10(2)20-14(18)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,17)/i2D3