[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(2-thenoylamino)acetyl]amino]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CNC(=O)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H25N3O5S/c22-15(11-20-18(25)14-7-6-10-27-14)19-12-17(24)26-13-16(23)21-8-4-2-1-3-5-9-21/h6-7,10H,1-5,8-9,11-13H2,(H,19,22)(H,20,25)