(4-nitrophenyl)methyl 2-[2-[(aminocarbonylamino)methyl]-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(aminocarbonylamino)methyl]-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[(carbamoylamino)methyl]-4-thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[(carbamoylamino)methyl]-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)CNC(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)CNC(=O)N

InChI

InChI=1S/C17H19N5O5S/c18-16(23)19-8-15-20-13(10-28-15)14-2-1-7-21(14)17(24)27-9-11-3-5-12(6-4-11)22(25)26/h3-6,10,14H,1-2,7-9H2,(H3,18,19,23)