ethyl 4-[[4-[(5-nitrothiophen-3-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(5-nitrothiophen-3-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(5-nitrothiophene-3-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[(5-nitro-3-thiophenyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(5-nitrothiophene-3-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-nitrothiophene-3-carbonyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H27N5O6S MolecularWeight: 453.51258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O6S/c1-2-30-18(27)23-9-3-14(4-10-23)21-17(26)19(5-7-20-8-6-19)22-16(25)13-11-15(24(28)29)31-12-13/h11-12,14,20H,2-10H2,1H3,(H,21,26)(H,22,25)