(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C22H24N2O6S/c1-14(20(26)23-15-8-7-9-16(12-15)24(28)29)31-18-11-6-5-10-17(18)21(27)30-13-19(25)22(2,3)4/h5-12,14H,13H2,1-4H3,(H,23,26)/t14-/m0/s1