(4-nitrophenyl)methyl 2-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-aminocarbonyl-1,3-thiazol-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-carbamoylthiazol-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(4-carbamoyl-2-thiazolyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-carbamoyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-carbamoylthiazol-2-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2=NC(=CS2)C(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2=NC(=CS2)C(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H16N4O5S2/c17-14(21)12-8-27-15(18-12)13-5-11(26)6-19(13)16(22)25-7-9-1-3-10(4-2-9)20(23)24/h1-4,8,11,13,26H,5-7H2,(H2,17,21)