ethyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-phenyl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(3R,5S)-3,5-dimethyl-1-piperidyl]-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(3R,5S)-3,5-dimethylpiperidino]-3-nitro-benzoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CC(CC(C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4C[C@@H](C[C@@H](C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O5S/c1-4-35-27(32)24-21(19-8-6-5-7-9-19)16-36-26(24)28-25(31)20-10-11-22(23(13-20)30(33)34)29-14-17(2)12-18(3)15-29/h5-11,13,16-18H,4,12,14-15H2,1-3H3,(H,28,31)/t17-,18+