methyl 2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoate Openeye Name: methyl 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo(1-piperidinyl)methyl]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(piperidine-1-carbonyl)phenyl]thio]acetic acid methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-22-14(18)10-23-13-6-5-11(9-12(13)17(20)21)15(19)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3