(4-nitrophenyl)methyl 3-(1-methylpyrrolidin-2-yl)sulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(1-methylpyrrolidin-2-yl)sulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(1-methylpyrrolidin-2-yl)sulfanylpyrrolidine-1-carboxylate CAS Name: 3-[(1-methyl-2-pyrrolidinyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-methylpyrrolidin-2-yl)sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-[(1-methylpyrrolidin-2-yl)thio]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1SC2CCN(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCCC1SC2CCN(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-18-9-2-3-16(18)25-15-8-10-19(11-15)17(21)24-12-13-4-6-14(7-5-13)20(22)23/h4-7,15-16H,2-3,8-12H2,1H3