ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)carbonyl-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3,5-dimethylpiperidin-1-yl)carbonyl-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)N2CC(CC(C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-4-25-17(21)11-26-16-6-5-14(8-15(16)20(23)24)18(22)19-9-12(2)7-13(3)10-19/h5-6,8,12-13H,4,7,9-11H2,1-3H3