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

Systemtic Name: ethyl 2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo(1-piperidinyl)methyl]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(piperidine-1-carbonyl)phenyl]thio]acetic acid ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-2-23-15(19)11-24-14-7-6-12(10-13(14)18(21)22)16(20)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3