ethyl 1-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-nitro-4-(p-tolylsulfanyl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-nitro-4-(p-tolylthio)benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O7S/c1-3-32-23(28)17-10-12-25(13-11-17)22(27)15-33-24(29)18-6-9-21(20(14-18)26(30)31)34-19-7-4-16(2)5-8-19/h4-9,14,17H,3,10-13,15H2,1-2H3