[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N2O5S/c1-12-4-3-5-13(2)18(12)16(20)10-24-17(21)11-25-15-8-6-14(7-9-15)19(22)23/h6-9,12-13H,3-5,10-11H2,1-2H3