(4-nitrophenyl)methyl 2-(pyridin-4-ylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(pyridin-4-ylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-pyridylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(pyridin-4-ylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(pyridin-4-ylsulfanylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[(4-pyridylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H19N3O4S2/c22-18(25-11-13-1-3-14(4-2-13)21(23)24)20-10-16(26)9-15(20)12-27-17-5-7-19-8-6-17/h1-8,15-16,26H,9-12H2