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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(aminocarbonyloxymethyl)-1,3-thiazol-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(carbamoyloxymethyl)thiazol-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[2-(carbamoyloxymethyl)-4-thiazolyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(carbamoyloxymethyl)-1,3-thiazol-4-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[2-(carbamoyloxymethyl)thiazol-4-yl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S2/c18-16(22)26-8-15-19-13(9-29-15)14-5-12(28)6-20(14)17(23)27-7-10-1-3-11(4-2-10)21(24)25/h1-4,9,12,14,28H,5-8H2,(H2,18,22)