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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-14-5-3-4-6-16(14)11-12-21-19(23)13-27-20(24)15(2)28-18-9-7-17(8-10-18)22(25)26/h3-10,15H,11-13H2,1-2H3,(H,21,23)/t15-/m0/s1