ethyl 2-oxidanylidene-2-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethylamino]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethylamino]ethanoate Openeye Name: ethyl 2-[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethylamino]-2-oxo-acetate CAS Name: 2-oxo-2-[2-[[1-oxo-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethyl]amino]ethylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethylamino]-2-oxoacetate Traditional Name: 2-[2-[[2-[[2-(benzylthio)acetyl]amino]acetyl]amino]ethylamino]-2-keto-acetic acid ethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NCCNC(=O)CNC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)NCCNC(=O)CNC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5S/c1-2-25-17(24)16(23)19-9-8-18-14(21)10-20-15(22)12-26-11-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,21)(H,19,23)(H,20,22)