[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5S/c1-4-15-7-5-6-13(2)19(15)21-18(23)12-27-20(24)14(3)28-17-10-8-16(9-11-17)22(25)26/h5-11,14H,4,12H2,1-3H3,(H,21,23)/t14-/m0/s1