ethyl 2-[2-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-methylpiperidino)-3-nitro-benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC(C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCCC(C4)C)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O7S/c1-3-37-28(34)25-21(19-9-5-4-6-10-19)17-39-26(25)29-24(32)16-38-27(33)20-11-12-22(23(14-20)31(35)36)30-13-7-8-18(2)15-30/h4-6,9-12,14,17-18H,3,7-8,13,15-16H2,1-2H3,(H,29,32)