[nitro(phenyl)methyl] 3-sulfanyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 3-sulfanyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-3-carboxylate Openeye Name: [nitro(phenyl)methyl] 3-sulfanyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-3-carboxylate CAS Name: 3-mercapto-5-[(1,3,4-thiadiazol-2-ylthio)methyl]-3-pyrrolidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 3-sulfanyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyrrolidine-3-carboxylate Traditional Name: 3-mercapto-5-[(1,3,4-thiadiazol-2-ylthio)methyl]pyrrolidine-3-carboxylic acid [nitro(phenyl)methyl] ester Formula: C15H16N4O4S3 MolecularWeight: 412.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC1(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])S)CSC3=NN=CS3

Isomeric SMILES

C1C(NCC1(C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])S)CSC3=NN=CS3

InChI

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