(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-10(14(18)16-7-3-4-8-16)22-15(19)11-5-6-13(23-2)12(9-11)17(20)21/h5-6,9-10H,3-4,7-8H2,1-2H3