methyl 5-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-1-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]carbonyl-1-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-1-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 5-[[(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-oxomethyl]-1-methyl-4-nitro-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl]-1-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 5-[(2S)-2-[bis(ethylthio)methyl]pyrrolidine-1-carbonyl]-1-methyl-4-nitro-pyrazole-3-carboxylic acid methyl ester Formula: C16H24N4O5S2 MolecularWeight: 416.51556

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)C2=C(C(=NN2C)C(=O)OC)[N+](=O)[O-])SCC

Isomeric SMILES

CCSC([C@@H]1CCCN1C(=O)C2=C(C(=NN2C)C(=O)OC)[N+](=O)[O-])SCC

InChI

InChI=1S/C16H24N4O5S2/c1-5-26-16(27-6-2)10-8-7-9-19(10)14(21)13-12(20(23)24)11(15(22)25-4)17-18(13)3/h10,16H,5-9H2,1-4H3/t10-/m0/s1