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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-dimethylaminoethyloxymethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-dimethylaminoethyloxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-dimethylaminoethyloxymethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CN(C)CCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C17H25N3O5S/c1-18(2)7-8-24-12-15-9-16(26)10-19(15)17(21)25-11-13-3-5-14(6-4-13)20(22)23/h3-6,15-16,26H,7-12H2,1-2H3