[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2-keto-2-mesidino-ethyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5S/c1-12-8-13(2)19(14(3)9-12)20-17(22)10-26-18(23)11-27-16-6-4-15(5-7-16)21(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)