[2-oxidanylidene-2-(4-propylphenyl)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6S/c1-3-5-16-8-10-17(11-9-16)21(26)15-31-23(28)20(12-13-32-2)24-22(27)18-6-4-7-19(14-18)25(29)30/h4,6-11,14,20H,3,5,12-13,15H2,1-2H3,(H,24,27)/t20-/m0/s1