methyl 2-[2-[2-(phenylmethoxycarbonylamino)ethanethioylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[2-(phenylmethoxycarbonylamino)ethanethioylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)ethanethioyl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[2-(phenylmethoxycarbonylamino)-1-sulfanylideneethyl]amino]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)thioacetyl]amino]acetyl]amino]acetic acid methyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=S)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CNC(=O)CNC(=S)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H19N3O5S/c1-22-14(20)9-16-12(19)7-17-13(24)8-18-15(21)23-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,19)(H,17,24)(H,18,21)