[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-12-7-9-18(10-8-12)17(21)13(2)24-16(20)11-25-15-5-3-14(4-6-15)19(22)23/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1