methyl 3-(1-benzothiophen-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(1-benzothiophen-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 3-(benzothiophene-2-carbonylamino)-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[[1-benzothiophen-2-yl(oxo)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzothiophene-2-carbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzothiophene-2-carbonylamino)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-20(25)16(23-21(26)28-13-14-7-3-2-4-8-14)12-22-19(24)18-11-15-9-5-6-10-17(15)29-18/h2-11,16H,12-13H2,1H3,(H,22,24)(H,23,26)