(4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17N5O4S2 MolecularWeight: 395.45658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CNC1=NN=C(S1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C15H17N5O4S2/c1-16-14-18-17-13(26-14)12-6-11(25)7-19(12)15(21)24-8-9-2-4-10(5-3-9)20(22)23/h2-5,11-12,25H,6-8H2,1H3,(H,16,18)