4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid

Systemtic Name: 4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid CAS Name: 4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 4-methylsulfonyloxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidine-2-carbothioic S-acid Formula: C14H16N2O8S2 MolecularWeight: 404.41544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C14H16N2O8S2/c1-26(21,22)24-11-6-12(13(17)25)15(7-11)14(18)23-8-9-2-4-10(5-3-9)16(19)20/h2-5,11-12H,6-8H2,1H3,(H,17,25)