S-[1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[(1E)-1-[(4-nitrophenyl)methoxy-oxomethyl]iminoethyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonyl]carbonimidoyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(E)-C-methyl-N-(4-nitrobenzyl)oxycarbonyl-carbonimidoyl]pyrrolidin-3-yl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CCC(C2)SC(=O)C

Isomeric SMILES

C/C(=N\C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])/N2CCC(C2)SC(=O)C

InChI

InChI=1S/C16H19N3O5S/c1-11(18-8-7-15(9-18)25-12(2)20)17-16(21)24-10-13-3-5-14(6-4-13)19(22)23/h3-6,15H,7-10H2,1-2H3/b17-11+