(2-methanethioyl-4-nitro-phenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: (2-methanethioyl-4-nitro-phenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: (2-methanethioyl-4-nitro-phenyl)methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid (2-methanethioyl-4-nitrophenyl)methyl ester IUPAC Name: (2-methanethioyl-4-nitrophenyl)methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid (4-nitro-2-thioformyl-benzyl) ester Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C=S

Isomeric SMILES

C1CC(=S)N(C1)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C=S

InChI

InChI=1S/C13H12N2O4S2/c16-13(14-5-1-2-12(14)21)19-7-9-3-4-11(15(17)18)6-10(9)8-20/h3-4,6,8H,1-2,5,7H2