(phenylmethyl) 2-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidin-2-yl]carbonylsulfanylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidin-2-yl]carbonylsulfanylamino]-3-methyl-butanoate Openeye Name: benzyl 2-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2-carbonyl]sulfanylamino]-3-methyl-butanoate CAS Name: 2-[[[[1-[(2,4-dinitrophenyl)thio]-2-pyrrolidinyl]-oxomethyl]thio]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2-carbonyl]sulfanylamino]-3-methylbutanoate Traditional Name: 2-[[[1-[(2,4-dinitrophenyl)thio]prolyl]thio]amino]-3-methyl-butyric acid benzyl ester Formula: C23H26N4O7S2 MolecularWeight: 534.60514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NSC(=O)C2CCCN2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NSC(=O)C2CCCN2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7S2/c1-15(2)21(22(28)34-14-16-7-4-3-5-8-16)24-35-23(29)18-9-6-12-25(18)36-20-11-10-17(26(30)31)13-19(20)27(32)33/h3-5,7-8,10-11,13,15,18,21,24H,6,9,12,14H2,1-2H3