[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c22-16(19-9-7-15-2-1-11-28-15)12-27-17(23)8-10-20-18(24)13-3-5-14(6-4-13)21(25)26/h1-6,11H,7-10,12H2,(H,19,22)(H,20,24)