(4-nitrophenyl)methyl 2-[[6-(dimethylamino)-3,5-dihydro-2H-pyrazin-4-yl]carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[6-(dimethylamino)-3,5-dihydro-2H-pyrazin-4-yl]carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[6-(dimethylamino)-3,5-dihydro-2H-pyrazin-4-yl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carbonyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carbonyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NCCN(C1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN(C)C1=NCCN(C1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H25N5O5S/c1-21(2)17-11-22(8-7-20-17)18(25)16-9-15(30)10-23(16)19(26)29-12-13-3-5-14(6-4-13)24(27)28/h3-6,15-16,30H,7-12H2,1-2H3