ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)