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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(aminocarbonylamino)methyl]-1,3-thiazol-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-sulfanyl-2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[(carbamoylamino)methyl]-4-thiazolyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[(carbamoylamino)methyl]-1,3-thiazol-4-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-(ureidomethyl)thiazol-4-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2=CSC(=N2)CNC(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2=CSC(=N2)CNC(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H19N5O5S2/c18-16(23)19-6-15-20-13(9-29-15)14-5-12(28)7-21(14)17(24)27-8-10-1-3-11(4-2-10)22(25)26/h1-4,9,12,14,28H,5-8H2,(H3,18,19,23)