(4-nitrophenyl)methyl 2-(morpholin-4-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(morpholin-4-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(morpholinomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(4-morpholinylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(morpholin-4-ylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(morpholinomethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O5S MolecularWeight: 381.44662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1COCCN1CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H23N3O5S/c21-17(25-12-13-1-3-14(4-2-13)20(22)23)19-11-16(26)9-15(19)10-18-5-7-24-8-6-18/h1-4,15-16,26H,5-12H2