(4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxo-ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxoethyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O6S/c16-13(20)6-17-14(21)12-5-11(26)7-18(12)15(22)25-8-9-1-3-10(4-2-9)19(23)24/h1-4,11-12,26H,5-8H2,(H2,16,20)(H,17,21)