[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c24-20(22-12-10-17(11-13-22)16-6-2-1-3-7-16)14-28-21(25)15-29-19-9-5-4-8-18(19)23(26)27/h1-10H,11-15H2