S-[1-(dimethylcarbamoyl)-5-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-(dimethylcarbamoyl)-5-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-(dimethylcarbamoyl)-5-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[dimethylamino(oxo)methyl]-5-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-(dimethylcarbamoyl)-5-[[(4-nitrophenyl)methoxycarbonylamino]methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(dimethylcarbamoyl)-5-[[(4-nitrobenzyl)oxycarbonylamino]methyl]pyrrolidin-3-yl] ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)N(C)C)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)N(C)C)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O6S/c1-12(23)29-16-8-15(21(10-16)18(25)20(2)3)9-19-17(24)28-11-13-4-6-14(7-5-13)22(26)27/h4-7,15-16H,8-11H2,1-3H3,(H,19,24)