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

Systemtic Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[(1,3,4-thiadiazol-2-ylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H16N4O4S3 MolecularWeight: 412.50694

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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-])S

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S3/c20-15(23-7-10-1-3-11(4-2-10)19(21)22)18-6-13(24)5-12(18)8-25-14-17-16-9-26-14/h1-4,9,12-13,24H,5-8H2