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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-azanyl-1,3-thiazol-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-aminothiazol-4-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-amino-4-thiazolyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-amino-1,3-thiazol-4-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-aminothiazol-4-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S2/c16-14-17-12(8-25-14)13-5-11(24)6-18(13)15(20)23-7-9-1-3-10(4-2-9)19(21)22/h1-4,8,11,13,24H,5-7H2,(H2,16,17)