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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(aminocarbonylamino)methyl]-1,3-thiazol-4-yl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[2-[(carbamoylamino)methyl]-4-thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-[(carbamoylamino)methyl]-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N5O6S2 MolecularWeight: 479.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)CNC(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC(=N3)CNC(=O)N

InChI

InChI=1S/C19H21N5O6S2/c1-11(25)32-14-6-16(15-10-31-17(22-15)7-21-18(20)26)23(8-14)19(27)30-9-12-2-4-13(5-3-12)24(28)29/h2-5,10,14,16H,6-9H2,1H3,(H3,20,21,26)