(4-nitrophenyl)methyl 2-(2,5-dihydropyrrol-1-ylcarbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2,5-dihydropyrrol-1-ylcarbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2,5-dihydropyrrole-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[2,5-dihydropyrrol-1-yl(oxo)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2,5-dihydropyrrole-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(3-pyrroline-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C=CCN1C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H19N3O5S/c21-16(18-7-1-2-8-18)15-9-14(26)10-19(15)17(22)25-11-12-3-5-13(6-4-12)20(23)24/h1-6,14-15,26H,7-11H2