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

Systemtic Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 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]pyrrolidine-1-carboxylate Traditional Name: 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)C2CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=NN=C(S1)C2CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-16-14-18-17-13(25-14)12-3-2-8-19(12)15(21)24-9-10-4-6-11(7-5-10)20(22)23/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)