(4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(phenylcarbonylsulfanyl)-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-[(1,3,4-thiadiazol-2-ylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H20N4O5S3 MolecularWeight: 516.613

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=NN=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1CSC2=NN=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5S3/c27-20(16-4-2-1-3-5-16)34-19-10-18(13-32-21-24-23-14-33-21)25(11-19)22(28)31-12-15-6-8-17(9-7-15)26(29)30/h1-9,14,18-19H,10-13H2