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

Systemtic Name: methyl 2-[2-(phenylmethoxycarbonylamino)ethanethioylamino]ethanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)ethanethioyl]amino]acetate CAS Name: 2-[[2-(phenylmethoxycarbonylamino)-1-sulfanylideneethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)thioacetyl]amino]acetic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-18-12(16)8-14-11(20)7-15-13(17)19-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,20)(H,15,17)