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

Systemtic Name: 4-ethanoyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid Openeye Name: 4-acetyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid CAS Name: 4-acetyl-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarbothioic S-acid IUPAC Name: 4-acetyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carbothioic S-acid Traditional Name: 4-acetyl-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidine-2-carbothioic S-acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

Isomeric SMILES

CC(=O)C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C15H16N2O6S/c1-9(18)11-6-13(14(19)24)16(7-11)15(20)23-8-10-2-4-12(5-3-10)17(21)22/h2-5,11,13H,6-8H2,1H3,(H,19,24)