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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-1,3-thiazol-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(methylamino)thiazol-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-(methylamino)-4-thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-1,3-thiazol-4-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-(methylamino)thiazol-4-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CNC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O4S2/c1-17-15-18-13(9-26-15)14-6-12(25)7-19(14)16(21)24-8-10-2-4-11(5-3-10)20(22)23/h2-5,9,12,14,25H,6-8H2,1H3,(H,17,18)