(4-nitrophenyl)methyl 2-(2-aminocarbonylpyrrolidin-1-yl)-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-aminocarbonylpyrrolidin-1-yl)-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-carbamoylpyrrolidin-1-yl)-2-methyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-carbamoyl-1-pyrrolidinyl)-4-mercapto-2-methyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-carbamoylpyrrolidin-1-yl)-2-methyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-carbamoylpyrrolidino)-4-mercapto-2-methyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCCC3C(=O)N

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)N3CCCC3C(=O)N

InChI

InChI=1S/C18H24N4O5S/c1-18(20-8-2-3-15(20)16(19)23)9-14(28)10-21(18)17(24)27-11-12-4-6-13(7-5-12)22(25)26/h4-7,14-15,28H,2-3,8-11H2,1H3,(H2,19,23)