[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C)C

InChI

InChI=1S/C20H23N3O5S2/c1-12-6-13(2)9-22(8-12)18(24)10-28-19(25)16-7-15(23(26)27)4-5-17(16)30-20-21-14(3)11-29-20/h4-5,7,11-13H,6,8-10H2,1-3H3