(4-nitrophenyl)methyl 2-aminocarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C13H15N3O5S/c14-12(17)11-5-10(22)6-15(11)13(18)21-7-8-1-3-9(4-2-8)16(19)20/h1-4,10-11,22H,5-7H2,(H2,14,17)