ethyl 5-ethyl-2-[[5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzyl-1-piperidyl)-5-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidino)-5-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H31N3O5S/c1-3-22-18-24(28(33)36-4-2)27(37-22)29-26(32)23-17-21(31(34)35)10-11-25(23)30-14-12-20(13-15-30)16-19-8-6-5-7-9-19/h5-11,17-18,20H,3-4,12-16H2,1-2H3,(H,29,32)