[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5S/c1-10(2)8-16-14(18)9-22-15(19)11(3)23-13-6-4-12(5-7-13)17(20)21/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)/t11-/m0/s1