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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(S3)NC

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NN=C(S3)NC

InChI

InChI=1S/C17H19N5O5S2/c1-10(23)28-13-7-14(15-19-20-16(18-2)29-15)21(8-13)17(24)27-9-11-3-5-12(6-4-11)22(25)26/h3-6,13-14H,7-9H2,1-2H3,(H,18,20)