methyl 4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-11-5-7-17(8-6-11)15(19)10-24-14-4-3-12(16(20)23-2)9-13(14)18(21)22/h3-4,9,11H,5-8,10H2,1-2H3