(4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)propanoate CAS Name: 3-(1-pyrrolidinylmethylthio)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)propanoate Traditional Name: 3-(pyrrolidinomethylthio)propionic acid (4-nitrobenzyl) ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CSCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CSCCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4S/c18-15(7-10-22-12-16-8-1-2-9-16)21-11-13-3-5-14(6-4-13)17(19)20/h3-6H,1-2,7-12H2